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

C13H12F3N3O — CID 115052044

IUPAC2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCN2)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)8-3-5-19-11(6-8)18-10(7-12(19)20)9-2-1-4-17-9/h3,5-7,9,17H,1-2,4H2
InChIKeyYTOXOTZMWZSQFU-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.14
Rot. Bonds1

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

2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115052044) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115052044
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCN2)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)8-3-5-19-11(6-8)18-10(7-12(19)20)9-2-1-4-17-9/h3,5-7,9,17H,1-2,4H2
InChIKeyYTOXOTZMWZSQFU-UHFFFAOYSA-N
XLogP2.14
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-pyrrolidin-2-yl-8-(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

Related Compounds

2-[[(1-Ethylpyrrolidin-2-yl)methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 16255203
2-Butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 141214891
2-(5,6-dihydro-4H-imidazo[1,2-a]pyridin-4-ium-7-yl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 157784066
2-[1-[(1-Methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 170161693
9-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039372
9-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039373
8-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039374
8-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039375
7-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039376
7-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039377
6-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039378
6-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039379

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115052044) is 2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCCN2)nc2cc(C(F)(F)F)ccn12.
What is the InChIKey of 2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YTOXOTZMWZSQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)8-3-5-19-11(6-8)18-10(7-12(19)20)9-2-1-4-17-9/h3,5-7,9,17H,1-2,4H2.
What are the key properties of 2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 283.25 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115052044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).