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

C5H6N2O2 — CID 581007

IUPAC4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc[nH]c1=O
InChIInChI=1S/C5H6N2O2/c1-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9)
InChIKeyOREVOAMPEBWISR-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.22
Rot. Bonds

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

4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 581007) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID581007
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc[nH]c1=O
InChIInChI=1S/C5H6N2O2/c1-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9)
InChIKeyOREVOAMPEBWISR-UHFFFAOYSA-N
XLogP-0.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-5-methyl-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-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 581007) is 4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is OREVOAMPEBWISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9).
What are the key properties of 4-hydroxy-5-methyl-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 126.11 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 581007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).