5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one

C12H9BrCl2N2O — CID 136877789

IUPAC5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cc(Cl)ccc2Cl)[nH]c(=O)c1Br
InChIInChI=1S/C12H9BrCl2N2O/c1-2-9-10(13)12(18)17-11(16-9)7-5-6(14)3-4-8(7)15/h3-5H,2H2,1H3,(H,16,17,18)
InChIKeyIYPKUORUVYNZAR-UHFFFAOYSA-N
MW348.03 g/mol
LogP4.07
Rot. Bonds2

About 5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one

5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136877789) has the molecular formula C12H9BrCl2N2O and a molecular weight of 348.03 g/mol. Its IUPAC name is 5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID136877789
Molecular FormulaC12H9BrCl2N2O
Molecular Weight348.03 g/mol
Exact Mass345.93
IUPAC Name5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cc(Cl)ccc2Cl)[nH]c(=O)c1Br
InChIInChI=1S/C12H9BrCl2N2O/c1-2-9-10(13)12(18)17-11(16-9)7-5-6(14)3-4-8(7)15/h3-5H,2H2,1H3,(H,16,17,18)
InChIKeyIYPKUORUVYNZAR-UHFFFAOYSA-N
XLogP4.07
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(3-chloro-2-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one
CID 136987476
5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 136877795
5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136984660
8-(2,5-dichlorophenyl)-3-ethyl-7H-purine-2,6-dione
CID 115925610
2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136781996
5-bromo-2-(4-chloro-2-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106819074
5-bromo-2-(2-bromo-5-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730028
2-(4-bromo-2-methylphenyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136980706
2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574
5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136696956
2-(2,5-dichlorophenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79816142
3-bromo-7-chloro-2-ethylquinoline
CID 123560307

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one (CID 136877789) is 5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one is CCc1nc(-c2cc(Cl)ccc2Cl)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is IYPKUORUVYNZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O/c1-2-9-10(13)12(18)17-11(16-9)7-5-6(14)3-4-8(7)15/h3-5H,2H2,1H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one?
5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 348.03 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136877789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).