2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one

C16H15N3O — CID 175817453

IUPAC2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC(Nc1ccccc1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H15N3O/c1-12(17-13-7-3-2-4-8-13)14-11-16(20)19-10-6-5-9-15(19)18-14/h2-12,17H,1H3
InChIKeyNBMVDLIXFBGFPZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.87
Rot. Bonds3

About 2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one

2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 175817453) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID175817453
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC(Nc1ccccc1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H15N3O/c1-12(17-13-7-3-2-4-8-13)14-11-16(20)19-10-6-5-9-15(19)18-14/h2-12,17H,1H3
InChIKeyNBMVDLIXFBGFPZ-UHFFFAOYSA-N
XLogP2.87
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-anilinoethyl)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

2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one
CID 12843616
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17423411
2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62639822
2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 83177884
2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671462
2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 69324468
2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide
CID 86930979
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 166197919
1-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]-3-phenylurea
CID 46331981

Frequently Asked Questions

What is the IUPAC name of 2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one (CID 175817453) is 2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one is CC(Nc1ccccc1)c1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NBMVDLIXFBGFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12(17-13-7-3-2-4-8-13)14-11-16(20)19-10-6-5-9-15(19)18-14/h2-12,17H,1H3.
What are the key properties of 2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 175817453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).