2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine

C14H15BrFN3 — CID 107924270

IUPAC2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2cc(F)ccc2Br)nc(C)c1CCN
InChIInChI=1S/C14H15BrFN3/c1-8-11(5-6-17)9(2)19-14(18-8)12-7-10(16)3-4-13(12)15/h3-4,7H,5-6,17H2,1-2H3
InChIKeyHJIOBUQUGQSZHT-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.16
Rot. Bonds3

About 2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine

2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine (PubChem CID 107924270) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
PubChem CID107924270
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2cc(F)ccc2Br)nc(C)c1CCN
InChIInChI=1S/C14H15BrFN3/c1-8-11(5-6-17)9(2)19-14(18-8)12-7-10(16)3-4-13(12)15/h3-4,7H,5-6,17H2,1-2H3
InChIKeyHJIOBUQUGQSZHT-UHFFFAOYSA-N
XLogP3.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 107924268
2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine
CID 114016371
2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 107923864
2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine
CID 107923785
[2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 107924337
4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 107924801
[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 107924057
[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol
CID 107924240
2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107923912
2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol
CID 137013043
2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 113398737
2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine
CID 107923946

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine (CID 107924270) is 2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine is Cc1nc(-c2cc(F)ccc2Br)nc(C)c1CCN.
What is the InChIKey of 2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
The InChIKey is HJIOBUQUGQSZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-8-11(5-6-17)9(2)19-14(18-8)12-7-10(16)3-4-13(12)15/h3-4,7H,5-6,17H2,1-2H3.
What are the key properties of 2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine has a molecular weight of 324.20 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 107924270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).