3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one

C14H9F2N3O — CID 71463563

IUPAC3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNc1cnc2c(-c3c(F)cccc3F)cccn2c1=O
InChIInChI=1S/C14H9F2N3O/c15-9-4-1-5-10(16)12(9)8-3-2-6-19-13(8)18-7-11(17)14(19)20/h1-7H,17H2
InChIKeyAMMNITAEKXLTKI-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.22
Rot. Bonds1

About 3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one

3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 71463563) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is 3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID71463563
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNc1cnc2c(-c3c(F)cccc3F)cccn2c1=O
InChIInChI=1S/C14H9F2N3O/c15-9-4-1-5-10(16)12(9)8-3-2-6-19-13(8)18-7-11(17)14(19)20/h1-7H,17H2
InChIKeyAMMNITAEKXLTKI-UHFFFAOYSA-N
XLogP2.22
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one (CID 71463563) is 3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one is Nc1cnc2c(-c3c(F)cccc3F)cccn2c1=O.
What is the InChIKey of 3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AMMNITAEKXLTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O/c15-9-4-1-5-10(16)12(9)8-3-2-6-19-13(8)18-7-11(17)14(19)20/h1-7H,17H2.
What are the key properties of 3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one?
3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-9-(2,6-difluorophenyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71463563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).