2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one

C13H10N2OS — CID 142656816

IUPAC2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2cc(-c3cccs3)ccc2n1
InChIInChI=1S/C13H10N2OS/c1-9-7-13(16)15-8-10(4-5-12(15)14-9)11-3-2-6-17-11/h2-8H,1H3
InChIKeyJPGKRSMTUJOVEG-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.73
Rot. Bonds1

About 2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one

2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 142656816) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID142656816
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2cc(-c3cccs3)ccc2n1
InChIInChI=1S/C13H10N2OS/c1-9-7-13(16)15-8-10(4-5-12(15)14-9)11-3-2-6-17-11/h2-8H,1H3
InChIKeyJPGKRSMTUJOVEG-UHFFFAOYSA-N
XLogP2.73
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-7-thiophen-2-ylpyrido[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-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 142656814
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 55354994
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53173247
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8718373
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9050893
4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 175733040
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
ethane;7-methyl-2-[[5-thiophen-2-yl-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 144970360
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
ethane;2-(3-methylphenyl)thiophene
CID 143181554
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 46435649

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 142656816) is 2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(=O)n2cc(-c3cccs3)ccc2n1.
What is the InChIKey of 2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JPGKRSMTUJOVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-9-7-13(16)15-8-10(4-5-12(15)14-9)11-3-2-6-17-11/h2-8H,1H3.
What are the key properties of 2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one?
2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 242.30 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142656816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).