3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione

C10H6N2O4 — CID 11572062

IUPAC3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(oc3ccccc32)c(=O)n1O
InChIInChI=1S/C10H6N2O4/c13-9-8-7(11-10(14)12(9)15)5-3-1-2-4-6(5)16-8/h1-4,15H,(H,11,14)
InChIKeyIQNZZVKBZVPGMX-UHFFFAOYSA-N
MW218.17 g/mol
LogP0.67
Rot. Bonds

About 3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione

3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (PubChem CID 11572062) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is 3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
PubChem CID11572062
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Name3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(oc3ccccc32)c(=O)n1O
InChIInChI=1S/C10H6N2O4/c13-9-8-7(11-10(14)12(9)15)5-3-1-2-4-6(5)16-8/h1-4,15H,(H,11,14)
InChIKeyIQNZZVKBZVPGMX-UHFFFAOYSA-N
XLogP0.67
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hydroxy-1H-[1]benzofuro[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

Related Compounds

N-(2-Benzoyl-3-benzofuranyl)acetamide
CID 616884
7-Biphenyl-4-yl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione
CID 11558784
7-Benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-dione
CID 11608580
3-Hydroxy-7-(3-methoxy-phenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione
CID 11701788
3-Hydroxy-7-phenylfuro[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 44392222
3-[(5-Nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide
CID 5017142
3-(3,4-dimethylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 7120055
3-Hydroxy-7-(4-methylphenyl)furo[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 44392232
3-Hydroxy-7-(4-methoxy-phenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione
CID 44392236
7-(4-Bromophenyl)-3-hydroxyfuro[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 44392247
3-(3-methoxyphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 7120054
3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 7120060

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (CID 11572062) is 3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2c(oc3ccccc32)c(=O)n1O.
What is the InChIKey of 3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The InChIKey is IQNZZVKBZVPGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4/c13-9-8-7(11-10(14)12(9)15)5-3-1-2-4-6(5)16-8/h1-4,15H,(H,11,14).
What are the key properties of 3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione has a molecular weight of 218.17 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11572062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).