2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C14H13FN2O2 — CID 136696141

IUPAC2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCc1cc(F)cc(-c2nc3c(c(=O)[nH]2)COCC3)c1
InChIInChI=1S/C14H13FN2O2/c1-8-4-9(6-10(15)5-8)13-16-12-2-3-19-7-11(12)14(18)17-13/h4-6H,2-3,7H2,1H3,(H,16,17,18)
InChIKeyZKVJJPCGAATHRE-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.96
Rot. Bonds1

About 2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696141) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696141
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCc1cc(F)cc(-c2nc3c(c(=O)[nH]2)COCC3)c1
InChIInChI=1S/C14H13FN2O2/c1-8-4-9(6-10(15)5-8)13-16-12-2-3-19-7-11(12)14(18)17-13/h4-6H,2-3,7H2,1H3,(H,16,17,18)
InChIKeyZKVJJPCGAATHRE-UHFFFAOYSA-N
XLogP1.96
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]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 2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696141) is 2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is Cc1cc(F)cc(-c2nc3c(c(=O)[nH]2)COCC3)c1.
What is the InChIKey of 2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is ZKVJJPCGAATHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-4-9(6-10(15)5-8)13-16-12-2-3-19-7-11(12)14(18)17-13/h4-6H,2-3,7H2,1H3,(H,16,17,18).
What are the key properties of 2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 260.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).