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

C16H17BrN2O2 — CID 136774571

IUPAC2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
SMILESCOc1ccc(Br)c(-c2nc(C3CCCC3)cc(=O)[nH]2)c1
InChIInChI=1S/C16H17BrN2O2/c1-21-11-6-7-13(17)12(8-11)16-18-14(9-15(20)19-16)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,18,19,20)
InChIKeyXWKJLTNNAXUVMR-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.87
Rot. Bonds3

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

2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one (PubChem CID 136774571) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
PubChem CID136774571
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
SMILESCOc1ccc(Br)c(-c2nc(C3CCCC3)cc(=O)[nH]2)c1
InChIInChI=1S/C16H17BrN2O2/c1-21-11-6-7-13(17)12(8-11)16-18-14(9-15(20)19-16)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,18,19,20)
InChIKeyXWKJLTNNAXUVMR-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

2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one
CID 136774541
2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136774549
2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 137010481
4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one
CID 136730017
4-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136889687
5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136774563
2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136775591
4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 136729467
2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136701864
4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one
CID 136730004
2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136774553
4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
CID 136774590

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one (CID 136774571) is 2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one is COc1ccc(Br)c(-c2nc(C3CCCC3)cc(=O)[nH]2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The InChIKey is XWKJLTNNAXUVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-11-6-7-13(17)12(8-11)16-18-14(9-15(20)19-16)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,18,19,20).
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-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 2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136774571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).