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

C10H7F3N2O — CID 83401972

IUPAC8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(C(F)(F)F)nc2c1
InChIInChI=1S/C10H7F3N2O/c1-6-2-3-15-8(4-6)14-7(5-9(15)16)10(11,12)13/h2-5H,1H3
InChIKeyIRVYEQXJQBIKJV-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.02
Rot. Bonds

About 8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 83401972) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID83401972
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(C(F)(F)F)nc2c1
InChIInChI=1S/C10H7F3N2O/c1-6-2-3-15-8(4-6)14-7(5-9(15)16)10(11,12)13/h2-5H,1H3
InChIKeyIRVYEQXJQBIKJV-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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 83401972) is 8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(C(F)(F)F)nc2c1.
What is the InChIKey of 8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IRVYEQXJQBIKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-6-2-3-15-8(4-6)14-7(5-9(15)16)10(11,12)13/h2-5H,1H3.
What are the key properties of 8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
8-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 8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83401972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).