4-amino-1,5-dihydroxypyrimidin-2-one

C4H5N3O3 — CID 174953159

IUPAC4-amino-1,5-dihydroxypyrimidin-2-one
SMILESNc1nc(=O)n(O)cc1O
InChIInChI=1S/C4H5N3O3/c5-3-2(8)1-7(10)4(9)6-3/h1,8,10H,(H2,5,6,9)
InChIKeyHGDMLQKXLMKACQ-UHFFFAOYSA-N
MW143.10 g/mol
LogP-1.23
Rot. Bonds

About 4-amino-1,5-dihydroxypyrimidin-2-one

4-amino-1,5-dihydroxypyrimidin-2-one (PubChem CID 174953159) has the molecular formula C4H5N3O3 and a molecular weight of 143.10 g/mol. Its IUPAC name is 4-amino-1,5-dihydroxypyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1,5-dihydroxypyrimidin-2-one
PubChem CID174953159
Molecular FormulaC4H5N3O3
Molecular Weight143.10 g/mol
Exact Mass143.03
IUPAC Name4-amino-1,5-dihydroxypyrimidin-2-one
SMILESNc1nc(=O)n(O)cc1O
InChIInChI=1S/C4H5N3O3/c5-3-2(8)1-7(10)4(9)6-3/h1,8,10H,(H2,5,6,9)
InChIKeyHGDMLQKXLMKACQ-UHFFFAOYSA-N
XLogP-1.23
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-1,5-dihydroxypyrimidin-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 4-amino-1,5-dihydroxypyrimidin-2-one?
The IUPAC name of 4-amino-1,5-dihydroxypyrimidin-2-one (CID 174953159) is 4-amino-1,5-dihydroxypyrimidin-2-one.
What is the SMILES notation for 4-amino-1,5-dihydroxypyrimidin-2-one?
The canonical SMILES for 4-amino-1,5-dihydroxypyrimidin-2-one is Nc1nc(=O)n(O)cc1O.
What is the InChIKey of 4-amino-1,5-dihydroxypyrimidin-2-one?
The InChIKey is HGDMLQKXLMKACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O3/c5-3-2(8)1-7(10)4(9)6-3/h1,8,10H,(H2,5,6,9).
What are the key properties of 4-amino-1,5-dihydroxypyrimidin-2-one?
4-amino-1,5-dihydroxypyrimidin-2-one has a molecular weight of 143.10 g/mol, XLogP of -1.23, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,5-dihydroxypyrimidin-2-one is sourced from PubChem (CID 174953159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).