methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate

C14H14ClN3O3 — CID 106820046

IUPACmethyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(-c2ccc(Cl)cc2OC)nc1N
InChIInChI=1S/C14H14ClN3O3/c1-7-11(14(19)21-3)12(16)18-13(17-7)9-5-4-8(15)6-10(9)20-2/h4-6H,1-3H3,(H2,16,17,18)
InChIKeyOJQLUFKBVZKBQG-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.48
Rot. Bonds3

About methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate

methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate (PubChem CID 106820046) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
PubChem CID106820046
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Namemethyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(-c2ccc(Cl)cc2OC)nc1N
InChIInChI=1S/C14H14ClN3O3/c1-7-11(14(19)21-3)12(16)18-13(17-7)9-5-4-8(15)6-10(9)20-2/h4-6H,1-3H3,(H2,16,17,18)
InChIKeyOJQLUFKBVZKBQG-UHFFFAOYSA-N
XLogP2.48
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(2-methoxy-4-methylphenyl)-6-methylpyrimidine-5-carboxamide
CID 106793665
methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 116647675
methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate
CID 116647598
2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983776
methyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 116647671
5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647586
[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
CID 106819856
methyl 4-amino-2-(3-bromo-4-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 107916074
2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 106819704
ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate
CID 116647802

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate (CID 106820046) is methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate is COC(=O)c1c(C)nc(-c2ccc(Cl)cc2OC)nc1N.
What is the InChIKey of methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate?
The InChIKey is OJQLUFKBVZKBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-7-11(14(19)21-3)12(16)18-13(17-7)9-5-4-8(15)6-10(9)20-2/h4-6H,1-3H3,(H2,16,17,18).
What are the key properties of methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate?
methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate has a molecular weight of 307.74 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 106820046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).