8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C9H10F3N3O — CID 83895448

IUPAC8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESNC1CCn2c(nc(C(F)(F)F)cc2=O)C1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)6-4-8(16)15-2-1-5(13)3-7(15)14-6/h4-5H,1-3,13H2
InChIKeyLBCVSADEARWBAF-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.54
Rot. Bonds

About 8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83895448) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83895448
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESNC1CCn2c(nc(C(F)(F)F)cc2=O)C1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)6-4-8(16)15-2-1-5(13)3-7(15)14-6/h4-5H,1-3,13H2
InChIKeyLBCVSADEARWBAF-UHFFFAOYSA-N
XLogP0.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83895447
9-Amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83895449
2-(Difluoromethyl)-4H,6H,7H,8H,9H-pyrimido[1,2-a]piperazin-4-one
CID 125449552
(6S)-2-(difluoromethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450460
(6R)-2-(difluoromethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450464
2-(Difluoromethyl)-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 125450710
6-(Difluoromethyl)-3-(piperidin-3-yl)-3,4-dihydropyrimidin-4-one
CID 126857695
4-(difluoromethyl)-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 136103122
2-piperidin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103142
4-(difluoromethyl)-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136103165
4-(difluoromethyl)-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 136103177
2-piperidin-4-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103186

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83895448) is 8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is NC1CCn2c(nc(C(F)(F)F)cc2=O)C1.
What is the InChIKey of 8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LBCVSADEARWBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)6-4-8(16)15-2-1-5(13)3-7(15)14-6/h4-5H,1-3,13H2.
What are the key properties of 8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 233.19 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83895448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).