3,6-dihydropyrano[3,4-d]pyrimidin-4-one

C7H6N2O2 — CID 137250193

IUPAC3,6-dihydropyrano[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1=CCOC=2
InChIInChI=1S/C7H6N2O2/c10-7-5-1-2-11-3-6(5)8-4-9-7/h1,3-4H,2H2,(H,8,9,10)
InChIKeyVEUHTQGBCHFSCD-UHFFFAOYSA-N
MW150.14 g/mol
LogP-1.68
Rot. Bonds

About 3,6-dihydropyrano[3,4-d]pyrimidin-4-one

3,6-dihydropyrano[3,4-d]pyrimidin-4-one (PubChem CID 137250193) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 3,6-dihydropyrano[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-dihydropyrano[3,4-d]pyrimidin-4-one
PubChem CID137250193
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name3,6-dihydropyrano[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1=CCOC=2
InChIInChI=1S/C7H6N2O2/c10-7-5-1-2-11-3-6(5)8-4-9-7/h1,3-4H,2H2,(H,8,9,10)
InChIKeyVEUHTQGBCHFSCD-UHFFFAOYSA-N
XLogP-1.68
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,6-dihydropyrano[3,4-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

Related Compounds

3,5-Dihydropyrano[4,3-d]pyrimidin-4-one
CID 136333749
(4E)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-5-methylidene-1H-pyrimidin-6-one
CID 163773112

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydropyrano[3,4-d]pyrimidin-4-one?
The IUPAC name of 3,6-dihydropyrano[3,4-d]pyrimidin-4-one (CID 137250193) is 3,6-dihydropyrano[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3,6-dihydropyrano[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3,6-dihydropyrano[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1=CCOC=2.
What is the InChIKey of 3,6-dihydropyrano[3,4-d]pyrimidin-4-one?
The InChIKey is VEUHTQGBCHFSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c10-7-5-1-2-11-3-6(5)8-4-9-7/h1,3-4H,2H2,(H,8,9,10).
What are the key properties of 3,6-dihydropyrano[3,4-d]pyrimidin-4-one?
3,6-dihydropyrano[3,4-d]pyrimidin-4-one has a molecular weight of 150.14 g/mol, XLogP of -1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydropyrano[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137250193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).