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

C16H17BrN2O2 — CID 136729643

IUPAC5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc(C2CCCC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C16H17BrN2O2/c1-21-12-9-5-4-8-11(12)15-18-14(10-6-2-3-7-10)13(17)16(20)19-15/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,19,20)
InChIKeySSYVGWXSJVVRAC-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.87
Rot. Bonds3

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

5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 136729643) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID136729643
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc(C2CCCC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C16H17BrN2O2/c1-21-12-9-5-4-8-11(12)15-18-14(10-6-2-3-7-10)13(17)16(20)19-15/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,19,20)
InChIKeySSYVGWXSJVVRAC-UHFFFAOYSA-N
XLogP3.87
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729693
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-2-(2-chloro-4-fluorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729610
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
4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729850
5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730042
2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 135480627
5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one
CID 136729711
2-benzyl-5-bromo-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729655
5-cyclopentyl-2-[2-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrimidin-6-one
CID 167857998

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one (CID 136729643) is 5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one is COc1ccccc1-c1nc(C2CCCC2)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is SSYVGWXSJVVRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-12-9-5-4-8-11(12)15-18-14(10-6-2-3-7-10)13(17)16(20)19-15/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,19,20).
What are the key properties of 5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one?
5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 349.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).