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

C9H10F3N3O — CID 83895447

IUPAC7-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESNC1CCc2nc(C(F)(F)F)cc(=O)n2C1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)6-3-8(16)15-4-5(13)1-2-7(15)14-6/h3,5H,1-2,4,13H2
InChIKeyMJTJMONTANAIHO-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.54
Rot. Bonds

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

7-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83895447) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 7-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83895447
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name7-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESNC1CCc2nc(C(F)(F)F)cc(=O)n2C1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)6-3-8(16)15-4-5(13)1-2-7(15)14-6/h3,5H,1-2,4,13H2
InChIKeyMJTJMONTANAIHO-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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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83895447) is 7-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is NC1CCc2nc(C(F)(F)F)cc(=O)n2C1.
What is the InChIKey of 7-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MJTJMONTANAIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)6-3-8(16)15-4-5(13)1-2-7(15)14-6/h3,5H,1-2,4,13H2.
What are the key properties of 7-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
7-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 7-amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83895447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).