5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid

C14H14ClN3O2 — CID 142395221

IUPAC5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid
SMILESCNc1nc(C(=O)O)nc(C)c1Cc1ccccc1Cl
InChIInChI=1S/C14H14ClN3O2/c1-8-10(7-9-5-3-4-6-11(9)15)12(16-2)18-13(17-8)14(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyUWLJHHNYVQIYHA-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.77
Rot. Bonds4

About 5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid

5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid (PubChem CID 142395221) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid
PubChem CID142395221
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid
SMILESCNc1nc(C(=O)O)nc(C)c1Cc1ccccc1Cl
InChIInChI=1S/C14H14ClN3O2/c1-8-10(7-9-5-3-4-6-11(9)15)12(16-2)18-13(17-8)14(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyUWLJHHNYVQIYHA-UHFFFAOYSA-N
XLogP2.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid 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

4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid
CID 142395274
5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine
CID 158447088
5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;[5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-yl]methanol
CID 157073818
magnesium;bis(5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylate);dihydrate
CID 161056174
4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide
CID 158695498
6-[(2-chlorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 71695537
2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307698
5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135475132
2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 60678560
4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-4-ethylsulfanyl-6-methylpyrimidine-2-carboxylic acid
CID 157460936
4-[5-[(2-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 46131267
5-[(2-chlorophenyl)methyl]-2H-triazole-4-carboxylic acid
CID 103115040

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid (CID 142395221) is 5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid is CNc1nc(C(=O)O)nc(C)c1Cc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid?
The InChIKey is UWLJHHNYVQIYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-10(7-9-5-3-4-6-11(9)15)12(16-2)18-13(17-8)14(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid?
5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid has a molecular weight of 291.74 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 142395221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).