2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one

C15H14BrClN2O — CID 137010481

IUPAC2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(-c2ccc(Br)cc2Cl)[nH]1
InChIInChI=1S/C15H14BrClN2O/c16-10-5-6-11(12(17)7-10)15-18-13(8-14(20)19-15)9-3-1-2-4-9/h5-9H,1-4H2,(H,18,19,20)
InChIKeyOJKUYPJPACIDLF-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.51
Rot. Bonds2

About 2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one

2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one (PubChem CID 137010481) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
PubChem CID137010481
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(-c2ccc(Br)cc2Cl)[nH]1
InChIInChI=1S/C15H14BrClN2O/c16-10-5-6-11(12(17)7-10)15-18-13(8-14(20)19-15)9-3-1-2-4-9/h5-9H,1-4H2,(H,18,19,20)
InChIKeyOJKUYPJPACIDLF-UHFFFAOYSA-N
XLogP4.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-4-tert-butyl-1H-pyrimidin-6-one
CID 137010452
2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136847785
2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136774571
3-(4-bromo-2-chlorophenyl)-5-cyclopentyl-1H-1,2,4-triazole
CID 61338312
4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one
CID 136730017
2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136775591
2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975507
5-bromo-2-(2-chloro-4-fluorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729610
4-cyclopentyl-2-[(2,4-dichlorophenyl)methyl]-1H-pyrimidin-6-one
CID 136729443
4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 135975410
4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one
CID 136730004
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975531

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one (CID 137010481) is 2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one is O=c1cc(C2CCCC2)nc(-c2ccc(Br)cc2Cl)[nH]1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The InChIKey is OJKUYPJPACIDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c16-10-5-6-11(12(17)7-10)15-18-13(8-14(20)19-15)9-3-1-2-4-9/h5-9H,1-4H2,(H,18,19,20).
What are the key properties of 2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one has a molecular weight of 353.65 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137010481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).