(1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol

C14H15BrN2O — CID 114015484

IUPAC(1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1ccc(-c2ncc([C@@H](C)O)c(C)n2)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-8-4-5-11(13(15)6-8)14-16-7-12(10(3)18)9(2)17-14/h4-7,10,18H,1-3H3/t10-/m1/s1
InChIKeyBSOMDFGPCHIDJQ-SNVBAGLBSA-N
MW307.19 g/mol
LogP3.58
Rot. Bonds2

About (1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol

(1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 114015484) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is (1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID114015484
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name(1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1ccc(-c2ncc([C@@H](C)O)c(C)n2)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-8-4-5-11(13(15)6-8)14-16-7-12(10(3)18)9(2)17-14/h4-7,10,18H,1-3H3/t10-/m1/s1
InChIKeyBSOMDFGPCHIDJQ-SNVBAGLBSA-N
XLogP3.58
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 107915584
(1S)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106793259
1-[2-(2-bromo-3,4-difluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 107540932
2-(2-bromo-4-methylphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107915347
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol
CID 103431340
(1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 94587738
(1R)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951244
(1S)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951245
1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol
CID 166596866
4-[5-[(1S)-1-hydroxyethyl]-4-methylpyrimidin-2-yl]benzene-1,2-diol
CID 136938643
N-[[2-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 107915641
(1S)-1-[2-(3-bromo-5-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431635

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol (CID 114015484) is (1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol is Cc1ccc(-c2ncc([C@@H](C)O)c(C)n2)c(Br)c1.
What is the InChIKey of (1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is BSOMDFGPCHIDJQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-8-4-5-11(13(15)6-8)14-16-7-12(10(3)18)9(2)17-14/h4-7,10,18H,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol?
(1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 307.19 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 114015484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).