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2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C13H12F3N3O — CID 115052047

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2cccc(C(F)(F)F)n12
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)10-2-1-3-11-18-9(6-12(20)19(10)11)8-4-5-17-7-8/h1-3,6,8,17H,4-5,7H2
InChIKeyCFPXKHOFUOITMA-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.79
Rot. Bonds1

About 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115052047) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115052047
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2cccc(C(F)(F)F)n12
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)10-2-1-3-11-18-9(6-12(20)19(10)11)8-4-5-17-7-8/h1-3,6,8,17H,4-5,7H2
InChIKeyCFPXKHOFUOITMA-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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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115052047) is 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCNC2)nc2cccc(C(F)(F)F)n12.
What is the InChIKey of 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CFPXKHOFUOITMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)10-2-1-3-11-18-9(6-12(20)19(10)11)8-4-5-17-7-8/h1-3,6,8,17H,4-5,7H2.
What are the key properties of 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-pyrrolidin-3-yl-6-(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-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115052047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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