2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine

C14H16BrN3 — CID 107571400

IUPAC2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H16BrN3/c1-8-5-12(6-9(2)13(8)15)18-14-10(3)4-11(16)7-17-14/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyUKPJSXAUQPVMCC-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.10
Rot. Bonds2

About 2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine

2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine (PubChem CID 107571400) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine
PubChem CID107571400
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H16BrN3/c1-8-5-12(6-9(2)13(8)15)18-14-10(3)4-11(16)7-17-14/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyUKPJSXAUQPVMCC-UHFFFAOYSA-N
XLogP4.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine (CID 107571400) is 2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine is Cc1cc(N)cnc1Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine?
The InChIKey is UKPJSXAUQPVMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-8-5-12(6-9(2)13(8)15)18-14-10(3)4-11(16)7-17-14/h4-7H,16H2,1-3H3,(H,17,18).
What are the key properties of 2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine?
2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine has a molecular weight of 306.21 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 107571400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).