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

C15H14BrClN2O2 — CID 115926386

IUPAC2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(Cl)ccc2Br)nc(O)c1C1CCCC1
InChIInChI=1S/C15H14BrClN2O2/c16-11-6-5-9(17)7-10(11)13-18-14(20)12(15(21)19-13)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21)
InChIKeyMRDPRYQCZQKUQL-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.22
Rot. Bonds2

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

2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 115926386) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID115926386
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(Cl)ccc2Br)nc(O)c1C1CCCC1
InChIInChI=1S/C15H14BrClN2O2/c16-11-6-5-9(17)7-10(11)13-18-14(20)12(15(21)19-13)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21)
InChIKeyMRDPRYQCZQKUQL-UHFFFAOYSA-N
XLogP4.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (CID 115926386) is 2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc(Cl)ccc2Br)nc(O)c1C1CCCC1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is MRDPRYQCZQKUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c16-11-6-5-9(17)7-10(11)13-18-14(20)12(15(21)19-13)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21).
What are the key properties of 2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 369.65 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 115926386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).