5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine

C13H13Br2N3 — CID 105410427

IUPAC5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)c(Br)c2)nc(C)c1Br
InChIInChI=1S/C13H13Br2N3/c1-7-4-5-9(6-10(7)14)12-17-8(2)11(15)13(16-3)18-12/h4-6H,1-3H3,(H,16,17,18)
InChIKeyJFJRUXUPWBYFQX-UHFFFAOYSA-N
MW371.08 g/mol
LogP4.33
Rot. Bonds2

About 5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine

5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 105410427) has the molecular formula C13H13Br2N3 and a molecular weight of 371.08 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
PubChem CID105410427
Molecular FormulaC13H13Br2N3
Molecular Weight371.08 g/mol
Exact Mass368.95
IUPAC Name5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)c(Br)c2)nc(C)c1Br
InChIInChI=1S/C13H13Br2N3/c1-7-4-5-9(6-10(7)14)12-17-8(2)11(15)13(16-3)18-12/h4-6H,1-3H3,(H,16,17,18)
InChIKeyJFJRUXUPWBYFQX-UHFFFAOYSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.08
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine (CID 105410427) is 5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2ccc(C)c(Br)c2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is JFJRUXUPWBYFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3/c1-7-4-5-9(6-10(7)14)12-17-8(2)11(15)13(16-3)18-12/h4-6H,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine?
5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 371.08 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 105410427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).