5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one

C16H16Br2N2O — CID 136730042

IUPAC5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
SMILESCc1cc(-c2nc(C3CCCC3)c(Br)c(=O)[nH]2)ccc1Br
InChIInChI=1S/C16H16Br2N2O/c1-9-8-11(6-7-12(9)17)15-19-14(10-4-2-3-5-10)13(18)16(21)20-15/h6-8,10H,2-5H2,1H3,(H,19,20,21)
InChIKeyBCNLWPIXLINDJK-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.93
Rot. Bonds2

About 5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one

5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one (PubChem CID 136730042) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
PubChem CID136730042
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
SMILESCc1cc(-c2nc(C3CCCC3)c(Br)c(=O)[nH]2)ccc1Br
InChIInChI=1S/C16H16Br2N2O/c1-9-8-11(6-7-12(9)17)15-19-14(10-4-2-3-5-10)13(18)16(21)20-15/h6-8,10H,2-5H2,1H3,(H,19,20,21)
InChIKeyBCNLWPIXLINDJK-UHFFFAOYSA-N
XLogP4.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(4-bromo-3-fluorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730044
5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one
CID 136729711
5-bromo-4-cyclopentyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one
CID 136813651
5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729697
5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730034
5-bromo-4-cyclopentyl-2-(2,4-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730055
5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729693
5-bromo-2-(2-bromo-5-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730028
5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one
CID 136813643
2-(3-bromo-4-fluorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729890
2-(3-bromo-4-chlorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729773
2-(4-bromo-3-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136791147

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one (CID 136730042) is 5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one is Cc1cc(-c2nc(C3CCCC3)c(Br)c(=O)[nH]2)ccc1Br.
What is the InChIKey of 5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The InChIKey is BCNLWPIXLINDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-9-8-11(6-7-12(9)17)15-19-14(10-4-2-3-5-10)13(18)16(21)20-15/h6-8,10H,2-5H2,1H3,(H,19,20,21).
What are the key properties of 5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one has a molecular weight of 412.13 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).