(1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine

C14H16BrN3 — CID 107915584

IUPAC(1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1ccc(-c2ncc([C@H](C)N)c(C)n2)c(Br)c1
InChIInChI=1S/C14H16BrN3/c1-8-4-5-11(13(15)6-8)14-17-7-12(9(2)16)10(3)18-14/h4-7,9H,16H2,1-3H3/t9-/m0/s1
InChIKeyZZPIOLSTFNQYCC-VIFPVBQESA-N
MW306.21 g/mol
LogP3.54
Rot. Bonds2

About (1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine

(1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 107915584) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is (1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID107915584
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name(1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1ccc(-c2ncc([C@H](C)N)c(C)n2)c(Br)c1
InChIInChI=1S/C14H16BrN3/c1-8-4-5-11(13(15)6-8)14-17-7-12(9(2)16)10(3)18-14/h4-7,9H,16H2,1-3H3/t9-/m0/s1
InChIKeyZZPIOLSTFNQYCC-VIFPVBQESA-N
XLogP3.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 114015484
(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 106793249
2-(2-bromo-4-methylphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107915347
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine
CID 103431871
1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine
CID 113398731
1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 55112626
N-[[2-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 107915641
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 114015423
(1S)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106793259
(1S)-1-[4-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-5-yl]ethanamine
CID 103431949
2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine
CID 107915607
(1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431993

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of (1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine (CID 107915584) is (1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine is Cc1ccc(-c2ncc([C@H](C)N)c(C)n2)c(Br)c1.
What is the InChIKey of (1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is ZZPIOLSTFNQYCC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16BrN3/c1-8-4-5-11(13(15)6-8)14-17-7-12(9(2)16)10(3)18-14/h4-7,9H,16H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine?
(1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 306.21 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 107915584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).