methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate

C12H10ClN3O3 — CID 135499579

IUPACmethyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(N)[nH]c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN3O3/c1-19-11(18)9-8(10(17)16-12(14)15-9)6-2-4-7(13)5-3-6/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyZHUJLELWTXQIOW-UHFFFAOYSA-N
MW279.68 g/mol
LogP1.46
Rot. Bonds2

About methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate

methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 135499579) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID135499579
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Namemethyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(N)[nH]c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN3O3/c1-19-11(18)9-8(10(17)16-12(14)15-9)6-2-4-7(13)5-3-6/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyZHUJLELWTXQIOW-UHFFFAOYSA-N
XLogP1.46
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate
CID 88889558
methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate
CID 172742481
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate
CID 79436249
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate
CID 59432141
dimethyl 2,5-bis(4-methoxycarbonylphenyl)pyrimidine-4,6-dicarboxylate
CID 122204693
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
5-(4-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705970
methyl 4-[[(2-amino-5-chloro-4-oxo-3H-quinazolin-6-yl)amino]methyl]benzoate
CID 135516843
methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate
CID 67974861
methyl 5-(4-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 11846342

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate (CID 135499579) is methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate is COC(=O)c1nc(N)[nH]c(=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is ZHUJLELWTXQIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-19-11(18)9-8(10(17)16-12(14)15-9)6-2-4-7(13)5-3-6/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate?
methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 279.68 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 135499579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).