2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol

C14H15BrN2O — CID 115069802

IUPAC2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol
SMILESCc1nc(-c2cccc(Br)c2)nc(C)c1CCO
InChIInChI=1S/C14H15BrN2O/c1-9-13(6-7-18)10(2)17-14(16-9)11-4-3-5-12(15)8-11/h3-5,8,18H,6-7H2,1-2H3
InChIKeyJRAJBGKGVIGVLI-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.06
Rot. Bonds3

About 2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol

2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol (PubChem CID 115069802) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol
PubChem CID115069802
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol
SMILESCc1nc(-c2cccc(Br)c2)nc(C)c1CCO
InChIInChI=1S/C14H15BrN2O/c1-9-13(6-7-18)10(2)17-14(16-9)11-4-3-5-12(15)8-11/h3-5,8,18H,6-7H2,1-2H3
InChIKeyJRAJBGKGVIGVLI-UHFFFAOYSA-N
XLogP3.06
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 63486280
2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 66000373
[2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 62743751
2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
CID 43557486
2-(3-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 84605237
2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine
CID 62744051
2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742183
N-[(3-bromophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368578
2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine
CID 90243397
2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine
CID 59510678
N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55113779
2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid
CID 61269584

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol?
The IUPAC name of 2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol (CID 115069802) is 2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol.
What is the SMILES notation for 2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol?
The canonical SMILES for 2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol is Cc1nc(-c2cccc(Br)c2)nc(C)c1CCO.
What is the InChIKey of 2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol?
The InChIKey is JRAJBGKGVIGVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-13(6-7-18)10(2)17-14(16-9)11-4-3-5-12(15)8-11/h3-5,8,18H,6-7H2,1-2H3.
What are the key properties of 2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol?
2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol has a molecular weight of 307.19 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 115069802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).