5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one

C5H4BrClN2O — CID 135409924

IUPAC5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)[nH]c(=O)c1Br
InChIInChI=1S/C5H4BrClN2O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H,8,9,10)
InChIKeyXWQTZBZFCLFSEF-UHFFFAOYSA-N
MW223.46 g/mol
LogP1.49
Rot. Bonds

About 5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one

5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one (PubChem CID 135409924) has the molecular formula C5H4BrClN2O and a molecular weight of 223.46 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one
PubChem CID135409924
Molecular FormulaC5H4BrClN2O
Molecular Weight223.46 g/mol
Exact Mass221.92
IUPAC Name5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)[nH]c(=O)c1Br
InChIInChI=1S/C5H4BrClN2O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H,8,9,10)
InChIKeyXWQTZBZFCLFSEF-UHFFFAOYSA-N
XLogP1.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.46
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one (CID 135409924) is 5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one is Cc1nc(Cl)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is XWQTZBZFCLFSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H,8,9,10).
What are the key properties of 5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one?
5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 223.46 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135409924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).