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

C9H5F3N2O — CID 69324468

IUPAC2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)6-5-8(15)14-4-2-1-3-7(14)13-6/h1-5H
InChIKeySIOQIHFCVYKNRD-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.71
Rot. Bonds

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

2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 69324468) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID69324468
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)6-5-8(15)14-4-2-1-3-7(14)13-6/h1-5H
InChIKeySIOQIHFCVYKNRD-UHFFFAOYSA-N
XLogP1.71
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one
CID 10621694
7-chloro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401967
2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one
CID 12843616
2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one
CID 132503374
2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106429069
2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 171704417
2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 44820379
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18199925
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrido[1,2-a]pyrimidin-4-one
CID 91642906
2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one
CID 175817453
2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 59120436

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 69324468) is 2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C(F)(F)F)nc2ccccn12.
What is the InChIKey of 2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SIOQIHFCVYKNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)6-5-8(15)14-4-2-1-3-7(14)13-6/h1-5H.
What are the key properties of 2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 214.15 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 69324468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).