2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine

C14H16BrN3 — CID 115147642

IUPAC2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine
SMILESCc1ccc(Br)cc1N(C)c1ccc(N)c(C)n1
InChIInChI=1S/C14H16BrN3/c1-9-4-5-11(15)8-13(9)18(3)14-7-6-12(16)10(2)17-14/h4-8H,16H2,1-3H3
InChIKeyBCWPLDXQCONFCR-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.81
Rot. Bonds2

About 2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine

2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine (PubChem CID 115147642) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine
PubChem CID115147642
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine
SMILESCc1ccc(Br)cc1N(C)c1ccc(N)c(C)n1
InChIInChI=1S/C14H16BrN3/c1-9-4-5-11(15)8-13(9)18(3)14-7-6-12(16)10(2)17-14/h4-8H,16H2,1-3H3
InChIKeyBCWPLDXQCONFCR-UHFFFAOYSA-N
XLogP3.81
TPSA42.15 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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine (CID 115147642) is 2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine is Cc1ccc(Br)cc1N(C)c1ccc(N)c(C)n1.
What is the InChIKey of 2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine?
The InChIKey is BCWPLDXQCONFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-9-4-5-11(15)8-13(9)18(3)14-7-6-12(16)10(2)17-14/h4-8H,16H2,1-3H3.
What are the key properties of 2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine?
2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine has a molecular weight of 306.21 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 115147642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).