2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one

C12H12ClN3O — CID 135764107

IUPAC2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCc2ccccc2Cl)n1
InChIInChI=1S/C12H12ClN3O/c1-8-6-11(17)16-12(15-8)14-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H2,14,15,16,17)
InChIKeyJZKYOBTWXBLCJX-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.34
Rot. Bonds3

About 2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one

2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135764107) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135764107
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCc2ccccc2Cl)n1
InChIInChI=1S/C12H12ClN3O/c1-8-6-11(17)16-12(15-8)14-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H2,14,15,16,17)
InChIKeyJZKYOBTWXBLCJX-UHFFFAOYSA-N
XLogP2.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one 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

2-[(2-methoxyphenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135816304
2-[(2-chlorophenyl)methylamino]-4-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 136881846
2-[(2-chlorophenyl)methylamino]-4-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136869371
2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406
4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135527667
2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 71945279
4-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methyl]benzoic acid
CID 135610198
6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one
CID 136808564
8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7H-purine-2,6-dione
CID 1493329
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135421727
2-(2-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide
CID 136636673
2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 60678560

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one (CID 135764107) is 2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NCc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JZKYOBTWXBLCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-6-11(17)16-12(15-8)14-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one?
2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 249.70 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135764107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).