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

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Related Compounds

2-(4-Fluorobenzylidene)-2,5,6,7,8,9-hexahydro-3h-imidazo(1,2-a)azepin-3-one
CID 2324249
(5E)-3-[(4-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one
CID 5715028
N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614704
N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-N'-phenethylurea
CID 23607565
3-Amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one
CID 53015115
(2E)-2-[(4-Fluorophenyl)methylidene]-2H,3H,5H,6H,7H,8H,9H-imidazo[1,2-A]azepin-3-one
CID 2324248
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-(4-fluorophenyl)-
CID 10657659
3-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 101891981
(2Z)-2-[(4-fluorophenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 101896513
2-(3,4-Difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
CID 2319365
2-[(4E)-4-[(4-fluorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide
CID 5715026
2-[[1-(3,4-Difluorophenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 16371172

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).