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

C6H7ClN2O2 — CID 71468610

IUPAC5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one
SMILESCc1nc(=O)n(O)c(C)c1Cl
InChIInChI=1S/C6H7ClN2O2/c1-3-5(7)4(2)9(11)6(10)8-3/h11H,1-2H3
InChIKeyCJMLJBBLIWVAAV-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.75
Rot. Bonds

About 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one

5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one (PubChem CID 71468610) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one
PubChem CID71468610
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one
SMILESCc1nc(=O)n(O)c(C)c1Cl
InChIInChI=1S/C6H7ClN2O2/c1-3-5(7)4(2)9(11)6(10)8-3/h11H,1-2H3
InChIKeyCJMLJBBLIWVAAV-UHFFFAOYSA-N
XLogP0.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.75
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 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one (CID 71468610) is 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one is Cc1nc(=O)n(O)c(C)c1Cl.
What is the InChIKey of 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one?
The InChIKey is CJMLJBBLIWVAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-3-5(7)4(2)9(11)6(10)8-3/h11H,1-2H3.
What are the key properties of 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one?
5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one has a molecular weight of 174.59 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 71468610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).