4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol

C15H14BrClN2O — CID 136730068

IUPAC4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol
SMILESOc1ccc(-c2nc(Cl)c(Br)c(C3CCCC3)n2)cc1
InChIInChI=1S/C15H14BrClN2O/c16-12-13(9-3-1-2-4-9)18-15(19-14(12)17)10-5-7-11(20)8-6-10/h5-9,20H,1-4H2
InChIKeyIGPZLZNKCGVFSJ-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.92
Rot. Bonds2

About 4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol

4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol (PubChem CID 136730068) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol
PubChem CID136730068
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol
SMILESOc1ccc(-c2nc(Cl)c(Br)c(C3CCCC3)n2)cc1
InChIInChI=1S/C15H14BrClN2O/c16-12-13(9-3-1-2-4-9)18-15(19-14(12)17)10-5-7-11(20)8-6-10/h5-9,20H,1-4H2
InChIKeyIGPZLZNKCGVFSJ-UHFFFAOYSA-N
XLogP4.92
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol
CID 136730066
5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 66311908
5-bromo-4-chloro-6-cyclopropyl-2-(4-nitrophenyl)pyrimidine
CID 66293932
5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine
CID 113390303
5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine
CID 66292054
5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine
CID 79971130
5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine
CID 103570166
5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine
CID 66313078
5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine
CID 117260459
5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66303343
5-bromo-4-chloro-6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 66312884
5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine
CID 79980390

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol?
The IUPAC name of 4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol (CID 136730068) is 4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol.
What is the SMILES notation for 4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol?
The canonical SMILES for 4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol is Oc1ccc(-c2nc(Cl)c(Br)c(C3CCCC3)n2)cc1.
What is the InChIKey of 4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol?
The InChIKey is IGPZLZNKCGVFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c16-12-13(9-3-1-2-4-9)18-15(19-14(12)17)10-5-7-11(20)8-6-10/h5-9,20H,1-4H2.
What are the key properties of 4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol?
4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol has a molecular weight of 353.65 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol is sourced from PubChem (CID 136730068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).