1-hydroxy-4,6-dimethylpyrimidin-2-one

C6H8N2O2 — CID 15649414

IUPAC1-hydroxy-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(O)c(=O)n1
InChIInChI=1S/C6H8N2O2/c1-4-3-5(2)8(10)6(9)7-4/h3,10H,1-2H3
InChIKeyAHYJQSURSGRPSR-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.10
Rot. Bonds

About 1-hydroxy-4,6-dimethylpyrimidin-2-one

1-hydroxy-4,6-dimethylpyrimidin-2-one (PubChem CID 15649414) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-hydroxy-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-hydroxy-4,6-dimethylpyrimidin-2-one
PubChem CID15649414
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-hydroxy-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(O)c(=O)n1
InChIInChI=1S/C6H8N2O2/c1-4-3-5(2)8(10)6(9)7-4/h3,10H,1-2H3
InChIKeyAHYJQSURSGRPSR-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 1-hydroxy-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-hydroxy-4,6-dimethylpyrimidin-2-one (CID 15649414) is 1-hydroxy-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-hydroxy-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-hydroxy-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(O)c(=O)n1.
What is the InChIKey of 1-hydroxy-4,6-dimethylpyrimidin-2-one?
The InChIKey is AHYJQSURSGRPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-3-5(2)8(10)6(9)7-4/h3,10H,1-2H3.
What are the key properties of 1-hydroxy-4,6-dimethylpyrimidin-2-one?
1-hydroxy-4,6-dimethylpyrimidin-2-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 1-hydroxy-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 15649414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).