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

C11H10F3N3O — CID 115047999

IUPAC2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNCCc1cc(=O)n2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)7-2-4-17-9(5-7)16-8(1-3-15)6-10(17)18/h2,4-6H,1,3,15H2
InChIKeyKZGWIZFXZBKXJO-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.21
Rot. Bonds2

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

2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115047999) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115047999
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNCCc1cc(=O)n2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)7-2-4-17-9(5-7)16-8(1-3-15)6-10(17)18/h2,4-6H,1,3,15H2
InChIKeyKZGWIZFXZBKXJO-UHFFFAOYSA-N
XLogP1.21
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methyl-2-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2439152
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide
CID 18566185
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824
3,8-Dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 59284023
7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401966
8-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401972
2-[(2,2-Difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 115406622
2-Ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 118544476
7-Amino-2-(difluoromethyl)-9-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 138958344
7-Amino-2-ethyl-9-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 138958350
7-Amino-2-ethyl-3,9-difluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 138958353
8-bromo-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one
CID 139552390

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115047999) is 2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is NCCc1cc(=O)n2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KZGWIZFXZBKXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)7-2-4-17-9(5-7)16-8(1-3-15)6-10(17)18/h2,4-6H,1,3,15H2.
What are the key properties of 2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 257.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115047999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).