7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione

C13H10N2O4 — CID 11608580

IUPAC7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(Cc3ccccc3)coc2c(=O)n1O
InChIInChI=1S/C13H10N2O4/c16-12-11-10(14-13(17)15(12)18)9(7-19-11)6-8-4-2-1-3-5-8/h1-5,7,18H,6H2,(H,14,17)
InChIKeyZTYGZYOHPCUUJF-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.11
Rot. Bonds2

About 7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione

7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione (PubChem CID 11608580) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione
PubChem CID11608580
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(Cc3ccccc3)coc2c(=O)n1O
InChIInChI=1S/C13H10N2O4/c16-12-11-10(14-13(17)15(12)18)9(7-19-11)6-8-4-2-1-3-5-8/h1-5,7,18H,6H2,(H,14,17)
InChIKeyZTYGZYOHPCUUJF-UHFFFAOYSA-N
XLogP1.11
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione 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 7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione (CID 11608580) is 7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2c(Cc3ccccc3)coc2c(=O)n1O.
What is the InChIKey of 7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ZTYGZYOHPCUUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-12-11-10(14-13(17)15(12)18)9(7-19-11)6-8-4-2-1-3-5-8/h1-5,7,18H,6H2,(H,14,17).
What are the key properties of 7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione?
7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 258.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11608580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).