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

C11H10F3N3O — CID 115047998

IUPAC2-(2-aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNCCc1cc(=O)n2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-2-1-5-17-9(18)6-7(3-4-15)16-10(8)17/h1-2,5-6H,3-4,15H2
InChIKeyPPPTWBPLDBJEQT-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.21
Rot. Bonds2

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

2-(2-aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115047998) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115047998
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2-(2-aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNCCc1cc(=O)n2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-2-1-5-17-9(18)6-7(3-4-15)16-10(8)17/h1-2,5-6H,3-4,15H2
InChIKeyPPPTWBPLDBJEQT-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

3,8-Dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 59284023
3,9-Dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 59284131
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
5-(Trifluoromethyl)-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one
CID 70008451
9-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 71007360
7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401966
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
7,9-Dimethyl-2-(trifluoromethyl)-6,7-dihydropyrido[1,2-a]pyrimidin-4-one
CID 144472693
2-Ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 147335907
2-(Difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 148851267

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115047998) is 2-(2-aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is NCCc1cc(=O)n2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 2-(2-aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PPPTWBPLDBJEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)8-2-1-5-17-9(18)6-7(3-4-15)16-10(8)17/h1-2,5-6H,3-4,15H2.
What are the key properties of 2-(2-aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(2-aminoethyl)-9-(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)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115047998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).