3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one

C6H6N2O2 — CID 70464609

IUPAC3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one
SMILESO=C1NCc2occc2N1
InChIInChI=1S/C6H6N2O2/c9-6-7-3-5-4(8-6)1-2-10-5/h1-2H,3H2,(H2,7,8,9)
InChIKeyANBOEICAWADDHW-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.91
Rot. Bonds

About 3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one

3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one (PubChem CID 70464609) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one
PubChem CID70464609
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one
SMILESO=C1NCc2occc2N1
InChIInChI=1S/C6H6N2O2/c9-6-7-3-5-4(8-6)1-2-10-5/h1-2H,3H2,(H2,7,8,9)
InChIKeyANBOEICAWADDHW-UHFFFAOYSA-N
XLogP0.91
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-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 3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one?
The IUPAC name of 3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one (CID 70464609) is 3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one?
The canonical SMILES for 3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one is O=C1NCc2occc2N1.
What is the InChIKey of 3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one?
The InChIKey is ANBOEICAWADDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-6-7-3-5-4(8-6)1-2-10-5/h1-2H,3H2,(H2,7,8,9).
What are the key properties of 3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one?
3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one has a molecular weight of 138.13 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-furo[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 70464609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).