2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one

C12H10BrClN2O — CID 136781996

IUPAC2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cc(Br)ccc2Cl)[nH]c(=O)c1C
InChIInChI=1S/C12H10BrClN2O/c1-6-7(2)15-11(16-12(6)17)9-5-8(13)3-4-10(9)14/h3-5H,1-2H3,(H,15,16,17)
InChIKeyDMXGLUZPWDVCQT-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.47
Rot. Bonds1

About 2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one

2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136781996) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136781996
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cc(Br)ccc2Cl)[nH]c(=O)c1C
InChIInChI=1S/C12H10BrClN2O/c1-6-7(2)15-11(16-12(6)17)9-5-8(13)3-4-10(9)14/h3-5H,1-2H3,(H,15,16,17)
InChIKeyDMXGLUZPWDVCQT-UHFFFAOYSA-N
XLogP3.47
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
CID 136774583
4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole
CID 114271471
5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one
CID 136877789
6-(5-bromo-2-chlorophenyl)-2H-1,2,4-triazine-3,5-dione
CID 155811324
1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600514
2-(5-bromo-2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820972
2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136989025
5-(5-bromo-2-chlorophenyl)-2-methyl-1H-1,2,4-triazole-3-thione
CID 104602057
5-bromo-2-(4-bromo-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 103083543
2-(5-bromo-2-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 63399662
2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764407
5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 136877795

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one (CID 136781996) is 2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2cc(Br)ccc2Cl)[nH]c(=O)c1C.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is DMXGLUZPWDVCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-6-7(2)15-11(16-12(6)17)9-5-8(13)3-4-10(9)14/h3-5H,1-2H3,(H,15,16,17).
What are the key properties of 2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one?
2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 313.58 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136781996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).