3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one

C16H13FN2O2 — CID 66831358

IUPAC3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CO)c(-c3cccc(F)c3)c(=O)n12
InChIInChI=1S/C16H13FN2O2/c1-10-4-2-7-14-18-13(9-20)15(16(21)19(10)14)11-5-3-6-12(17)8-11/h2-8,20H,9H2,1H3
InChIKeyJJHXTPBRYGWVAZ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.30
Rot. Bonds2

About 3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one

3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 66831358) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID66831358
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CO)c(-c3cccc(F)c3)c(=O)n12
InChIInChI=1S/C16H13FN2O2/c1-10-4-2-7-14-18-13(9-20)15(16(21)19(10)14)11-5-3-6-12(17)8-11/h2-8,20H,9H2,1H3
InChIKeyJJHXTPBRYGWVAZ-UHFFFAOYSA-N
XLogP2.30
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 66831358) is 3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CO)c(-c3cccc(F)c3)c(=O)n12.
What is the InChIKey of 3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JJHXTPBRYGWVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10-4-2-7-14-18-13(9-20)15(16(21)19(10)14)11-5-3-6-12(17)8-11/h2-8,20H,9H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 284.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(hydroxymethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66831358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).