1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine

C16H20BrN3 — CID 107915616

IUPAC1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(-c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C16H20BrN3/c1-4-13(18)9-14-7-11(3)19-16(20-14)12-6-5-10(2)15(17)8-12/h5-8,13H,4,9,18H2,1-3H3
InChIKeyHQLAZQCJVGWCNH-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.80
Rot. Bonds4

About 1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine

1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine (PubChem CID 107915616) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine
PubChem CID107915616
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(-c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C16H20BrN3/c1-4-13(18)9-14-7-11(3)19-16(20-14)12-6-5-10(2)15(17)8-12/h5-8,13H,4,9,18H2,1-3H3
InChIKeyHQLAZQCJVGWCNH-UHFFFAOYSA-N
XLogP3.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 115568456
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine
CID 62746111
1-[2-(4-bromo-2-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 103083973
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 81476585
[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 113337351
1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine
CID 106951252
1-[2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-yl]butan-2-amine
CID 107504530
2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine
CID 105407965
1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine
CID 62745584
1-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 104881000
1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 62745059
1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine
CID 55114152

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine?
The IUPAC name of 1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine (CID 107915616) is 1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine?
The canonical SMILES for 1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine is CCC(N)Cc1cc(C)nc(-c2ccc(C)c(Br)c2)n1.
What is the InChIKey of 1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine?
The InChIKey is HQLAZQCJVGWCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-4-13(18)9-14-7-11(3)19-16(20-14)12-6-5-10(2)15(17)8-12/h5-8,13H,4,9,18H2,1-3H3.
What are the key properties of 1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine?
1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine has a molecular weight of 334.26 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine is sourced from PubChem (CID 107915616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).