3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C10H7F3N2O — CID 59284058

IUPAC3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(C(F)(F)F)nc2ccccn2c1=O
InChIInChI=1S/C10H7F3N2O/c1-6-8(10(11,12)13)14-7-4-2-3-5-15(7)9(6)16/h2-5H,1H3
InChIKeyLYCOUICVGDNZLT-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.02
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 59284058) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID59284058
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(C(F)(F)F)nc2ccccn2c1=O
InChIInChI=1S/C10H7F3N2O/c1-6-8(10(11,12)13)14-7-4-2-3-5-15(7)9(6)16/h2-5H,1H3
InChIKeyLYCOUICVGDNZLT-UHFFFAOYSA-N
XLogP2.02
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 59284058) is 3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1c(C(F)(F)F)nc2ccccn2c1=O.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LYCOUICVGDNZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-6-8(10(11,12)13)14-7-4-2-3-5-15(7)9(6)16/h2-5H,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 228.17 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59284058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).