9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one

C15H11F2N3O2 — CID 58357506

IUPAC9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CO)c(Nc2ccc(F)cc2)nc2c(F)cccn12
InChIInChI=1S/C15H11F2N3O2/c16-9-3-5-10(6-4-9)18-13-11(8-21)15(22)20-7-1-2-12(17)14(20)19-13/h1-7,18,21H,8H2
InChIKeyHRPOJFAAVTUUNA-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.21
Rot. Bonds3

About 9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one

9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 58357506) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is 9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID58357506
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Name9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CO)c(Nc2ccc(F)cc2)nc2c(F)cccn12
InChIInChI=1S/C15H11F2N3O2/c16-9-3-5-10(6-4-9)18-13-11(8-21)15(22)20-7-1-2-12(17)14(20)19-13/h1-7,18,21H,8H2
InChIKeyHRPOJFAAVTUUNA-UHFFFAOYSA-N
XLogP2.21
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-4-oxo-2-(phenylamino)-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 680824
2-Anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2424851
2-[(2-fluorophenyl)amino]-3-[(E)-(hydroxyimino)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135635677
9-(3-Fluoroanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13292093
9-(4-Fluoroanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13369390
(9E)-9-[(2-fluoroanilino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13884713
(9E)-9-[(4-fluoroanilino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13884714
7-(4-Fluorophenyl)-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylic acid
CID 155563901
N-(2,4-difluorophenyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575142
2-Anilino-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 761582
2-(2-Fluoroanilino)-3-(hydroxyiminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 911103
N-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
CID 3489665

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (CID 58357506) is 9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(CO)c(Nc2ccc(F)cc2)nc2c(F)cccn12.
What is the InChIKey of 9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HRPOJFAAVTUUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c16-9-3-5-10(6-4-9)18-13-11(8-21)15(22)20-7-1-2-12(17)14(20)19-13/h1-7,18,21H,8H2.
What are the key properties of 9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 303.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2-(4-fluoroanilino)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58357506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).