1-hydroxy-4,5,6-trimethylpyrimidin-2-one

C7H10N2O2 — CID 71468477

IUPAC1-hydroxy-4,5,6-trimethylpyrimidin-2-one
SMILESCc1nc(=O)n(O)c(C)c1C
InChIInChI=1S/C7H10N2O2/c1-4-5(2)8-7(10)9(11)6(4)3/h11H,1-3H3
InChIKeyANYNDVBIYMHHFW-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.41
Rot. Bonds

About 1-hydroxy-4,5,6-trimethylpyrimidin-2-one

1-hydroxy-4,5,6-trimethylpyrimidin-2-one (PubChem CID 71468477) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-hydroxy-4,5,6-trimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-hydroxy-4,5,6-trimethylpyrimidin-2-one
PubChem CID71468477
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-hydroxy-4,5,6-trimethylpyrimidin-2-one
SMILESCc1nc(=O)n(O)c(C)c1C
InChIInChI=1S/C7H10N2O2/c1-4-5(2)8-7(10)9(11)6(4)3/h11H,1-3H3
InChIKeyANYNDVBIYMHHFW-UHFFFAOYSA-N
XLogP0.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.41
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-4,5,6-trimethylpyrimidin-2-one?
The IUPAC name of 1-hydroxy-4,5,6-trimethylpyrimidin-2-one (CID 71468477) is 1-hydroxy-4,5,6-trimethylpyrimidin-2-one.
What is the SMILES notation for 1-hydroxy-4,5,6-trimethylpyrimidin-2-one?
The canonical SMILES for 1-hydroxy-4,5,6-trimethylpyrimidin-2-one is Cc1nc(=O)n(O)c(C)c1C.
What is the InChIKey of 1-hydroxy-4,5,6-trimethylpyrimidin-2-one?
The InChIKey is ANYNDVBIYMHHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-5(2)8-7(10)9(11)6(4)3/h11H,1-3H3.
What are the key properties of 1-hydroxy-4,5,6-trimethylpyrimidin-2-one?
1-hydroxy-4,5,6-trimethylpyrimidin-2-one has a molecular weight of 154.17 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,5,6-trimethylpyrimidin-2-one is sourced from PubChem (CID 71468477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).