2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one

C15H12ClN3O2 — CID 58357536

IUPAC2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CO)c(Nc2ccccc2Cl)nc2ccccn12
InChIInChI=1S/C15H12ClN3O2/c16-11-5-1-2-6-12(11)17-14-10(9-20)15(21)19-8-4-3-7-13(19)18-14/h1-8,17,20H,9H2
InChIKeyVQPBFTWPWSITHA-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.58
Rot. Bonds3

About 2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one

2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 58357536) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID58357536
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CO)c(Nc2ccccc2Cl)nc2ccccn12
InChIInChI=1S/C15H12ClN3O2/c16-11-5-1-2-6-12(11)17-14-10(9-20)15(21)19-8-4-3-7-13(19)18-14/h1-8,17,20H,9H2
InChIKeyVQPBFTWPWSITHA-UHFFFAOYSA-N
XLogP2.58
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-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

3-(hydroxymethyl)-2-[3-(trifluoromethoxy)anilino]pyrido[1,2-a]pyrimidin-4-one;methane
CID 161294407
2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 71203112
N-(2-chlorophenyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137278968
2-(4-chloroanilino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 91600895
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine
CID 146301079
6-benzyl-N-(2-chlorophenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4903851
N-(2-chlorophenyl)-6-phenylpyrido[1,2-a]benzimidazol-8-amine
CID 146300968
2,3-dichloropyrido[1,2-a]pyrimidin-4-one
CID 74890119
9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 58357506
3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 171976185
2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 4638153

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (CID 58357536) is 2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(CO)c(Nc2ccccc2Cl)nc2ccccn12.
What is the InChIKey of 2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VQPBFTWPWSITHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-11-5-1-2-6-12(11)17-14-10(9-20)15(21)19-8-4-3-7-13(19)18-14/h1-8,17,20H,9H2.
What are the key properties of 2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 301.73 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58357536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).