3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine

C16H20BrN3 — CID 65294049

IUPAC3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(-c2ccc(Br)cc2)nc(C)c1CC(C)CN
InChIInChI=1S/C16H20BrN3/c1-10(9-18)8-15-11(2)19-16(20-12(15)3)13-4-6-14(17)7-5-13/h4-7,10H,8-9,18H2,1-3H3
InChIKeyMPYGJKYRMNKZTL-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.66
Rot. Bonds4

About 3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine

3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine (PubChem CID 65294049) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
PubChem CID65294049
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(-c2ccc(Br)cc2)nc(C)c1CC(C)CN
InChIInChI=1S/C16H20BrN3/c1-10(9-18)8-15-11(2)19-16(20-12(15)3)13-4-6-14(17)7-5-13/h4-7,10H,8-9,18H2,1-3H3
InChIKeyMPYGJKYRMNKZTL-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 65293903
3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 65293667
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82489865
2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000623
2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 63486623
2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745958
[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746651
3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294050
3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65293619
2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745786
[6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine
CID 82452734

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine (CID 65294049) is 3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine is Cc1nc(-c2ccc(Br)cc2)nc(C)c1CC(C)CN.
What is the InChIKey of 3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
The InChIKey is MPYGJKYRMNKZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-10(9-18)8-15-11(2)19-16(20-12(15)3)13-4-6-14(17)7-5-13/h4-7,10H,8-9,18H2,1-3H3.
What are the key properties of 3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 65294049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).