3-hydroxy-2,5-dimethylpyrimidin-4-one

C6H8N2O2 — CID 129055820

IUPAC3-hydroxy-2,5-dimethylpyrimidin-4-one
SMILESCc1cnc(C)n(O)c1=O
InChIInChI=1S/C6H8N2O2/c1-4-3-7-5(2)8(10)6(4)9/h3,10H,1-2H3
InChIKeyZXYPUKPMIMMKDN-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.10
Rot. Bonds

About 3-hydroxy-2,5-dimethylpyrimidin-4-one

3-hydroxy-2,5-dimethylpyrimidin-4-one (PubChem CID 129055820) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-hydroxy-2,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-hydroxy-2,5-dimethylpyrimidin-4-one
PubChem CID129055820
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-hydroxy-2,5-dimethylpyrimidin-4-one
SMILESCc1cnc(C)n(O)c1=O
InChIInChI=1S/C6H8N2O2/c1-4-3-7-5(2)8(10)6(4)9/h3,10H,1-2H3
InChIKeyZXYPUKPMIMMKDN-UHFFFAOYSA-N
XLogP0.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,5-dimethylpyrimidin-4-one?
The IUPAC name of 3-hydroxy-2,5-dimethylpyrimidin-4-one (CID 129055820) is 3-hydroxy-2,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-hydroxy-2,5-dimethylpyrimidin-4-one?
The canonical SMILES for 3-hydroxy-2,5-dimethylpyrimidin-4-one is Cc1cnc(C)n(O)c1=O.
What is the InChIKey of 3-hydroxy-2,5-dimethylpyrimidin-4-one?
The InChIKey is ZXYPUKPMIMMKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-3-7-5(2)8(10)6(4)9/h3,10H,1-2H3.
What are the key properties of 3-hydroxy-2,5-dimethylpyrimidin-4-one?
3-hydroxy-2,5-dimethylpyrimidin-4-one has a molecular weight of 140.14 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 129055820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).