5-bromo-6-chloro-3-methylpyrimidin-4-one

C5H4BrClN2O — CID 15058925

IUPAC5-bromo-6-chloro-3-methylpyrimidin-4-one
SMILESCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C5H4BrClN2O/c1-9-2-8-4(7)3(6)5(9)10/h2H,1H3
InChIKeyXMHSPMGZLBXATO-UHFFFAOYSA-N
MW223.46 g/mol
LogP1.20
Rot. Bonds

About 5-bromo-6-chloro-3-methylpyrimidin-4-one

5-bromo-6-chloro-3-methylpyrimidin-4-one (PubChem CID 15058925) has the molecular formula C5H4BrClN2O and a molecular weight of 223.46 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-methylpyrimidin-4-one
PubChem CID15058925
Molecular FormulaC5H4BrClN2O
Molecular Weight223.46 g/mol
Exact Mass221.92
IUPAC Name5-bromo-6-chloro-3-methylpyrimidin-4-one
SMILESCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C5H4BrClN2O/c1-9-2-8-4(7)3(6)5(9)10/h2H,1H3
InChIKeyXMHSPMGZLBXATO-UHFFFAOYSA-N
XLogP1.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.46
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-methylpyrimidin-4-one (CID 15058925) is 5-bromo-6-chloro-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-methylpyrimidin-4-one is Cn1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-chloro-3-methylpyrimidin-4-one?
The InChIKey is XMHSPMGZLBXATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2O/c1-9-2-8-4(7)3(6)5(9)10/h2H,1H3.
What are the key properties of 5-bromo-6-chloro-3-methylpyrimidin-4-one?
5-bromo-6-chloro-3-methylpyrimidin-4-one has a molecular weight of 223.46 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-methylpyrimidin-4-one is sourced from PubChem (CID 15058925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).