6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine

C16H20BrN3 — CID 107580627

IUPAC6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(Nc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C16H20BrN3/c1-4-8-18-14-6-5-7-15(20-14)19-13-9-11(2)16(17)12(3)10-13/h5-7,9-10H,4,8H2,1-3H3,(H2,18,19,20)
InChIKeyQCQRUDDEXPWVEZ-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.03
Rot. Bonds5

About 6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine

6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 107580627) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
PubChem CID107580627
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(Nc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C16H20BrN3/c1-4-8-18-14-6-5-7-15(20-14)19-13-9-11(2)16(17)12(3)10-13/h5-7,9-10H,4,8H2,1-3H3,(H2,18,19,20)
InChIKeyQCQRUDDEXPWVEZ-UHFFFAOYSA-N
XLogP5.03
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine
CID 114223074
6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine
CID 107580588
6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid
CID 107575447
4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile
CID 107794996
2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 114330961
6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080
6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 80762738
6-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80754904
6-N-(2,3-difluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80798545
6-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80755260
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551
6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 107531766

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine (CID 107580627) is 6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(Nc2cc(C)c(Br)c(C)c2)n1.
What is the InChIKey of 6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is QCQRUDDEXPWVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-4-8-18-14-6-5-7-15(20-14)19-13-9-11(2)16(17)12(3)10-13/h5-7,9-10H,4,8H2,1-3H3,(H2,18,19,20).
What are the key properties of 6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine?
6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 334.26 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 107580627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).