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Chemistry
Heterocyclic Building Blocks
Pyrimidines
4-chloro-5-methoxypyrimidine
4-Amino-6-chloro-5-methoxypyrimidine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyrimidines
Amines Chlorides Ethers
4-chloro-5-methoxypyrimidine
methoxypyrimidine

[ CAS No. 5018-41-7 ] 4-Amino-6-chloro-5-methoxypyrimidine

Cat. No.: A241068
Chemical Structure| 5018-41-7
Chemical Structure| 5018-41-7
 Structure of 5018-41-7 * Storage: Keep in dark place,Inert atmosphere,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
95% 250mg $14.00 Inquiry Inquiry
95% 1g $34.00 Inquiry Inquiry
95% 5g $67.00 Inquiry Inquiry
95% 25g $305.00 Inquiry Inquiry
95% 100g $1013.00 Inquiry Inquiry

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* Storage: Keep in dark place,Inert atmosphere,2-8°C

* Shipping: Normal

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 5018-41-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 5018-41-7 ]

Specification
Alternatived Products of [ 5018-41-7 ]
Product Citations

Product Details of [ 5018-41-7 ]

CAS No. :5018-41-7 MDL No. :MFCD07787635
Formula : C5H6ClN3O Boiling Point : No data available
Linear Structure Formula :- InChI Key :AAJZJNHQPBMCFV-UHFFFAOYSA-N
M.W : 159.57 Pubchem ID :78721
Synonyms :

Calculated chemistry of [ 5018-41-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.2
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 37.94
TPSA : 61.03 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.52
Log Po/w (XLOGP3) : 0.79
Log Po/w (WLOGP) : 0.73
Log Po/w (MLOGP) : -0.25
Log Po/w (SILICOS-IT) : 0.86
Consensus Log Po/w : 0.73

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.71
Solubility : 3.15 mg/ml ; 0.0197 mol/l
Class : Very soluble
Log S (Ali) : -1.65
Solubility : 3.55 mg/ml ; 0.0223 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.02
Solubility : 1.51 mg/ml ; 0.00944 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.98

Safety of [ 5018-41-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 5018-41-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 5018-41-7 ]

[ 5018-41-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 67-56-1 ]
  • [ 5018-41-7 ]
  • [ 5018-45-1 ]
Reference： [1] Patent: WO2004/7466, 2004, A1, . Location in patent: Page/Page column 7-8
[2] Patent: WO2004/7466, 2004, A1, . Location in patent: Page/Page column 9

Tags: 5018-41-7 synthesis path| 5018-41-7 SDS| 5018-41-7 COA| 5018-41-7 purity| 5018-41-7 application| 5018-41-7 NMR| 5018-41-7 COA| 5018-41-7 structure

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Heterocyclic Building Blocks
Pyrimidines
4-chloro-5-methoxypyrimidine
Chemistry
Heterocyclic Building Blocks
Pyrimidines
methoxypyrimidine
Chemistry
Organic Building Blocks
Ethers
4-chloro-5-methoxypyrimidine
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Chemistry
Organic Building Blocks
Chlorides

Technical Information

• Alkyl Halide Occurrence • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Hydride Reductions • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Leuckart-Wallach Reaction • Mannich Reaction • Nomenclature of Ethers • Petasis Reaction • Preparation of Amines • Preparation of Ethers • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Ethers • Specialized Acylation Reagents-Vilsmeier Reagent • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Ugi Reaction
Historical Records

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[ 5018-41-7 ]

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