5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one

C17H19BrN2O — CID 136730034

IUPAC5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(C)c(-c2nc(C3CCCC3)c(Br)c(=O)[nH]2)c1
InChIInChI=1S/C17H19BrN2O/c1-10-7-8-11(2)13(9-10)16-19-15(12-5-3-4-6-12)14(18)17(21)20-16/h7-9,12H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyJQVDBTVFOLKDTN-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.47
Rot. Bonds2

About 5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one

5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one (PubChem CID 136730034) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one
PubChem CID136730034
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(C)c(-c2nc(C3CCCC3)c(Br)c(=O)[nH]2)c1
InChIInChI=1S/C17H19BrN2O/c1-10-7-8-11(2)13(9-10)16-19-15(12-5-3-4-6-12)14(18)17(21)20-16/h7-9,12H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyJQVDBTVFOLKDTN-UHFFFAOYSA-N
XLogP4.47
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730042
5-bromo-2-(2-bromo-5-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730028
5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136729643
5-bromo-2-(2-chloro-4-fluorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729610
5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729697
5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one
CID 136729711
4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729850
5-bromo-2-(4-bromo-3-fluorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730044
5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 136877795
5-bromo-4-cyclopentyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one
CID 136813651

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one (CID 136730034) is 5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one is Cc1ccc(C)c(-c2nc(C3CCCC3)c(Br)c(=O)[nH]2)c1.
What is the InChIKey of 5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one?
The InChIKey is JQVDBTVFOLKDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-10-7-8-11(2)13(9-10)16-19-15(12-5-3-4-6-12)14(18)17(21)20-16/h7-9,12H,3-6H2,1-2H3,(H,19,20,21).
What are the key properties of 5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one?
5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one has a molecular weight of 347.26 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136730034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).