5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one

C6H6BrClN2O — CID 162422102

IUPAC5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one
SMILESCc1nc(Cl)n(C)c(=O)c1Br
InChIInChI=1S/C6H6BrClN2O/c1-3-4(7)5(11)10(2)6(8)9-3/h1-2H3
InChIKeyONMNAOCGOJJDLW-UHFFFAOYSA-N
MW237.48 g/mol
LogP1.50
Rot. Bonds

About 5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one

5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one (PubChem CID 162422102) has the molecular formula C6H6BrClN2O and a molecular weight of 237.48 g/mol. Its IUPAC name is 5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one
PubChem CID162422102
Molecular FormulaC6H6BrClN2O
Molecular Weight237.48 g/mol
Exact Mass235.94
IUPAC Name5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one
SMILESCc1nc(Cl)n(C)c(=O)c1Br
InChIInChI=1S/C6H6BrClN2O/c1-3-4(7)5(11)10(2)6(8)9-3/h1-2H3
InChIKeyONMNAOCGOJJDLW-UHFFFAOYSA-N
XLogP1.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.48
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one?
The IUPAC name of 5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one (CID 162422102) is 5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one?
The canonical SMILES for 5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one is Cc1nc(Cl)n(C)c(=O)c1Br.
What is the InChIKey of 5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one?
The InChIKey is ONMNAOCGOJJDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2O/c1-3-4(7)5(11)10(2)6(8)9-3/h1-2H3.
What are the key properties of 5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one?
5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one has a molecular weight of 237.48 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 162422102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).