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

C16H17BrN2O — CID 136729693

IUPAC5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccccc1-c1nc(C2CCCC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C16H17BrN2O/c1-10-6-2-5-9-12(10)15-18-14(11-7-3-4-8-11)13(17)16(20)19-15/h2,5-6,9,11H,3-4,7-8H2,1H3,(H,18,19,20)
InChIKeySTLBFKFXFCMEGA-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.17
Rot. Bonds2

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

5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 136729693) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
PubChem CID136729693
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccccc1-c1nc(C2CCCC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C16H17BrN2O/c1-10-6-2-5-9-12(10)15-18-14(11-7-3-4-8-11)13(17)16(20)19-15/h2,5-6,9,11H,3-4,7-8H2,1H3,(H,18,19,20)
InChIKeySTLBFKFXFCMEGA-UHFFFAOYSA-N
XLogP4.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729850
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-methoxyphenyl)-1H-pyrimidin-6-one
CID 136729643
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-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729697
5-bromo-2-(2-chloro-4-fluorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729610
2-benzyl-5-bromo-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729655
5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one
CID 136729711
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one (CID 136729693) is 5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one is Cc1ccccc1-c1nc(C2CCCC2)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is STLBFKFXFCMEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-10-6-2-5-9-12(10)15-18-14(11-7-3-4-8-11)13(17)16(20)19-15/h2,5-6,9,11H,3-4,7-8H2,1H3,(H,18,19,20).
What are the key properties of 5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one?
5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 333.23 g/mol, XLogP of 4.17, 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-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).