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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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).