2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C13H12F3N3O — CID 115052041

IUPAC2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-2-1-5-19-11(20)6-10(18-12(9)19)8-3-4-17-7-8/h1-2,5-6,8,17H,3-4,7H2
InChIKeyLDCVGPFWGPTXFL-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.79
Rot. Bonds1

About 2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115052041) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115052041
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-2-1-5-19-11(20)6-10(18-12(9)19)8-3-4-17-7-8/h1-2,5-6,8,17H,3-4,7H2
InChIKeyLDCVGPFWGPTXFL-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 66825496
2-Cyclopropyl-9-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 66825567
3,3,3-Trifluoro-1-[3-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)pyrrolidin-1-yl]propan-1-one
CID 136265496
2-(5,6-dihydro-4H-imidazo[1,2-a]pyridin-4-ium-7-yl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 157784066
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
7-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039376
6-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039378
2-(2-Aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115047998
2-(2-Aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115047999
2-(2-Aminoethyl)-7-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115048000

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115052041) is 2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCNC2)nc2c(C(F)(F)F)cccn12.
What is the InChIKey of 2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LDCVGPFWGPTXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)9-2-1-5-19-11(20)6-10(18-12(9)19)8-3-4-17-7-8/h1-2,5-6,8,17H,3-4,7H2.
What are the key properties of 2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 283.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115052041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).