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

C13H12F3N3O — CID 115052042

IUPAC2-pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCN2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)8-3-2-6-19-11(20)7-10(18-12(8)19)9-4-1-5-17-9/h2-3,6-7,9,17H,1,4-5H2
InChIKeyFYONWBHWBNSYLX-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.14
Rot. Bonds1

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

2-pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115052042) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115052042
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCN2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)8-3-2-6-19-11(20)7-10(18-12(8)19)9-4-1-5-17-9/h2-3,6-7,9,17H,1,4-5H2
InChIKeyFYONWBHWBNSYLX-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

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Related Compounds

2-[[(1-Ethylpyrrolidin-2-yl)methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 16255203
3-Amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 66825496
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-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039379
2-(2-Aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115047998
2-Pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115052041

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115052042) is 2-pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCCN2)nc2c(C(F)(F)F)cccn12.
What is the InChIKey of 2-pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FYONWBHWBNSYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)8-3-2-6-19-11(20)7-10(18-12(8)19)9-4-1-5-17-9/h2-3,6-7,9,17H,1,4-5H2.
What are the key properties of 2-pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-pyrrolidin-2-yl-9-(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-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115052042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).