4-amino-5-hydroxy-1H-pyrimidin-6-one

C4H5N3O2 — CID 135840830

IUPAC4-amino-5-hydroxy-1H-pyrimidin-6-one
SMILESNc1nc[nH]c(=O)c1O
InChIInChI=1S/C4H5N3O2/c5-3-2(8)4(9)7-1-6-3/h1,8H,(H3,5,6,7,9)
InChIKeyDUFPUPLYCLGLJA-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.94
Rot. Bonds

About 4-amino-5-hydroxy-1H-pyrimidin-6-one

4-amino-5-hydroxy-1H-pyrimidin-6-one (PubChem CID 135840830) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 4-amino-5-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-hydroxy-1H-pyrimidin-6-one
PubChem CID135840830
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name4-amino-5-hydroxy-1H-pyrimidin-6-one
SMILESNc1nc[nH]c(=O)c1O
InChIInChI=1S/C4H5N3O2/c5-3-2(8)4(9)7-1-6-3/h1,8H,(H3,5,6,7,9)
InChIKeyDUFPUPLYCLGLJA-UHFFFAOYSA-N
XLogP-0.94
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-hydroxy-1H-pyrimidin-6-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-5-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-hydroxy-1H-pyrimidin-6-one (CID 135840830) is 4-amino-5-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-hydroxy-1H-pyrimidin-6-one is Nc1nc[nH]c(=O)c1O.
What is the InChIKey of 4-amino-5-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DUFPUPLYCLGLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-3-2(8)4(9)7-1-6-3/h1,8H,(H3,5,6,7,9).
What are the key properties of 4-amino-5-hydroxy-1H-pyrimidin-6-one?
4-amino-5-hydroxy-1H-pyrimidin-6-one has a molecular weight of 127.10 g/mol, XLogP of -0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 135840830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).