4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one

C12H12ClN3O2 — CID 136782374

IUPAC4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1cccc(Cl)c1CNc1cc(=O)[nH]cn1
InChIInChI=1S/C12H12ClN3O2/c1-18-10-4-2-3-9(13)8(10)6-14-11-5-12(17)16-7-15-11/h2-5,7H,6H2,1H3,(H2,14,15,16,17)
InChIKeyXZQZFZXFKUWYKW-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.04
Rot. Bonds4

About 4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one

4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136782374) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136782374
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1cccc(Cl)c1CNc1cc(=O)[nH]cn1
InChIInChI=1S/C12H12ClN3O2/c1-18-10-4-2-3-9(13)8(10)6-14-11-5-12(17)16-7-15-11/h2-5,7H,6H2,1H3,(H2,14,15,16,17)
InChIKeyXZQZFZXFKUWYKW-UHFFFAOYSA-N
XLogP2.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-chloro-6-methoxyphenyl)methylamino]-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

4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136782373
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine
CID 103293215
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973640
5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 107874949
2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine
CID 103293198
N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 103293689
N-[(2-chloro-6-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 103292810
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136955931
N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 103293691
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 104624373

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one (CID 136782374) is 4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one is COc1cccc(Cl)c1CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is XZQZFZXFKUWYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-18-10-4-2-3-9(13)8(10)6-14-11-5-12(17)16-7-15-11/h2-5,7H,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one?
4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 265.70 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136782374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).