3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one

C7H8N2O2 — CID 137035386

IUPAC3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1CCOC2
InChIInChI=1S/C7H8N2O2/c10-7-5-1-2-11-3-6(5)8-4-9-7/h4H,1-3H2,(H,8,9,10)
InChIKeyXTKOENJDNIVJAQ-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.16
Rot. Bonds

About 3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one

3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (PubChem CID 137035386) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
PubChem CID137035386
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1CCOC2
InChIInChI=1S/C7H8N2O2/c10-7-5-1-2-11-3-6(5)8-4-9-7/h4H,1-3H2,(H,8,9,10)
InChIKeyXTKOENJDNIVJAQ-UHFFFAOYSA-N
XLogP-0.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5,6,8-tetrahydropyrano[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

Frequently Asked Questions

What is the IUPAC name of 3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The IUPAC name of 3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (CID 137035386) is 3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1CCOC2.
What is the InChIKey of 3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The InChIKey is XTKOENJDNIVJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-7-5-1-2-11-3-6(5)8-4-9-7/h4H,1-3H2,(H,8,9,10).
What are the key properties of 3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one has a molecular weight of 152.15 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137035386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).