3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol

C13H12BrClN2O — CID 66311878

IUPAC3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol
SMILESCC(C)c1nc(-c2cccc(O)c2)nc(Cl)c1Br
InChIInChI=1S/C13H12BrClN2O/c1-7(2)11-10(14)12(15)17-13(16-11)8-4-3-5-9(18)6-8/h3-7,18H,1-2H3
InChIKeyILUQMFOXVJBSOC-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.39
Rot. Bonds2

About 3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol

3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol (PubChem CID 66311878) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol
PubChem CID66311878
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol
SMILESCC(C)c1nc(-c2cccc(O)c2)nc(Cl)c1Br
InChIInChI=1S/C13H12BrClN2O/c1-7(2)11-10(14)12(15)17-13(16-11)8-4-3-5-9(18)6-8/h3-7,18H,1-2H3
InChIKeyILUQMFOXVJBSOC-UHFFFAOYSA-N
XLogP4.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chloro-6-methylpyrimidin-2-yl)phenol
CID 747290
3-(4-Cyclobutyl-6-methylpyrimidin-2-yl)phenol
CID 56868051
4-Chloro-6-(trifluoromethyl)-2-(2-hydroxyphenyl)pyrimidine
CID 623728
5-(5-Bromo-2-methylpyrimidin-4-yl)-2-chloro-4-fluorophenol
CID 17856558
3-[[(5-Chloro-2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluorophenol
CID 22640046
5-(5-Bromo-6-methylpyrimidin-4-yl)-2-chloro-4-fluorophenol
CID 85782473
2-Chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol
CID 142043385
5-(5-Chloro-4-methylpyrimidin-2-yl)-2-fluorophenol
CID 177918424
3-[5-Fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]phenol
CID 65998427
3-(4-Amino-5-fluoro-6-methylpyrimidin-2-yl)phenol
CID 65999420
4-Chloro-5-fluoro-2-(3-methoxyphenyl)-6-methylpyrimidine
CID 65999830
3-(4-Chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol
CID 66000633

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol?
The IUPAC name of 3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol (CID 66311878) is 3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol?
The canonical SMILES for 3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol is CC(C)c1nc(-c2cccc(O)c2)nc(Cl)c1Br.
What is the InChIKey of 3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol?
The InChIKey is ILUQMFOXVJBSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-7(2)11-10(14)12(15)17-13(16-11)8-4-3-5-9(18)6-8/h3-7,18H,1-2H3.
What are the key properties of 3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol?
3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol has a molecular weight of 327.61 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol is sourced from PubChem (CID 66311878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).