5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

C6H6N2O2 — CID 135741903

IUPAC5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1COC2
InChIInChI=1S/C6H6N2O2/c9-6-4-1-10-2-5(4)7-3-8-6/h3H,1-2H2,(H,7,8,9)
InChIKeyZQTIECFDGXRNRH-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.20
Rot. Bonds

About 5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (PubChem CID 135741903) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
PubChem CID135741903
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1COC2
InChIInChI=1S/C6H6N2O2/c9-6-4-1-10-2-5(4)7-3-8-6/h3H,1-2H2,(H,7,8,9)
InChIKeyZQTIECFDGXRNRH-UHFFFAOYSA-N
XLogP-0.20
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The IUPAC name of 5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (CID 135741903) is 5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1COC2.
What is the InChIKey of 5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The InChIKey is ZQTIECFDGXRNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-6-4-1-10-2-5(4)7-3-8-6/h3H,1-2H2,(H,7,8,9).
What are the key properties of 5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one has a molecular weight of 138.13 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135741903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).