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

C10H7F3N2O — CID 3732006

IUPAC6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(C(F)(F)F)cc(=O)n12
InChIInChI=1S/C10H7F3N2O/c1-6-3-2-4-8-14-7(10(11,12)13)5-9(16)15(6)8/h2-5H,1H3
InChIKeySDSJEPDKNIUJMT-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.02
Rot. Bonds

About 6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 3732006) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID3732006
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(C(F)(F)F)cc(=O)n12
InChIInChI=1S/C10H7F3N2O/c1-6-3-2-4-8-14-7(10(11,12)13)5-9(16)15(6)8/h2-5H,1H3
InChIKeySDSJEPDKNIUJMT-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 6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 3732006) is 6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(C(F)(F)F)cc(=O)n12.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SDSJEPDKNIUJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-6-3-2-4-8-14-7(10(11,12)13)5-9(16)15(6)8/h2-5H,1H3.
What are the key properties of 6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
6-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 6-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3732006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).