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

C14H14N2O3 — CID 135741853

IUPAC2-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2nc3c(c(=O)[nH]2)COCC3)cc1
InChIInChI=1S/C14H14N2O3/c1-18-10-4-2-9(3-5-10)13-15-12-6-7-19-8-11(12)14(17)16-13/h2-5H,6-8H2,1H3,(H,15,16,17)
InChIKeyIFAKDKVQOWFNSI-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.52
Rot. Bonds2

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

2-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 135741853) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID135741853
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2nc3c(c(=O)[nH]2)COCC3)cc1
InChIInChI=1S/C14H14N2O3/c1-18-10-4-2-9(3-5-10)13-15-12-6-7-19-8-11(12)14(17)16-13/h2-5H,6-8H2,1H3,(H,15,16,17)
InChIKeyIFAKDKVQOWFNSI-UHFFFAOYSA-N
XLogP1.52
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 135741853) is 2-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is COc1ccc(-c2nc3c(c(=O)[nH]2)COCC3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is IFAKDKVQOWFNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-10-4-2-9(3-5-10)13-15-12-6-7-19-8-11(12)14(17)16-13/h2-5H,6-8H2,1H3,(H,15,16,17).
What are the key properties of 2-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 258.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135741853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).