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

C16H17BrN2O2 — CID 103083561

IUPAC2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1cc(Br)ccc1-c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C16H17BrN2O2/c1-9-8-11(17)6-7-12(9)14-18-15(20)13(16(21)19-14)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,18,19,20,21)
InChIKeyBOUICAYUXNAOIR-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.87
Rot. Bonds2

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

2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 103083561) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID103083561
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1cc(Br)ccc1-c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C16H17BrN2O2/c1-9-8-11(17)6-7-12(9)14-18-15(20)13(16(21)19-14)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,18,19,20,21)
InChIKeyBOUICAYUXNAOIR-UHFFFAOYSA-N
XLogP3.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926343
5-bromo-2-(4-bromo-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 103083543
2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 115926386
5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926378
5-bromo-4-cyclopentyl-2-(2,4-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730055
2-(4-bromo-2-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136727381
5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 112569328
5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926352
2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 136929316
5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 112569377
2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 115926288
2-(4-bromo-2-methylphenyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136980706

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (CID 103083561) is 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is Cc1cc(Br)ccc1-c1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is BOUICAYUXNAOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-9-8-11(17)6-7-12(9)14-18-15(20)13(16(21)19-14)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 349.23 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103083561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).