5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine

C15H18BrN3 — CID 104533102

IUPAC5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cc(Br)ccc2C)c1
InChIInChI=1S/C15H18BrN3/c1-3-6-18-13-8-14(10-17-9-13)19-15-7-12(16)5-4-11(15)2/h4-5,7-10,18-19H,3,6H2,1-2H3
InChIKeyWOGNNBVRJXKGTM-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.72
Rot. Bonds5

About 5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine

5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104533102) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104533102
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cc(Br)ccc2C)c1
InChIInChI=1S/C15H18BrN3/c1-3-6-18-13-8-14(10-17-9-13)19-15-7-12(16)5-4-11(15)2/h4-5,7-10,18-19H,3,6H2,1-2H3
InChIKeyWOGNNBVRJXKGTM-UHFFFAOYSA-N
XLogP4.72
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423741
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378
5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532080
5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532100
5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423990
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine
CID 104532161
5-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
5-N-[(3-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533230
4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80788913
5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532272
5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine
CID 104535267

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine (CID 104533102) is 5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(Nc2cc(Br)ccc2C)c1.
What is the InChIKey of 5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is WOGNNBVRJXKGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-3-6-18-13-8-14(10-17-9-13)19-15-7-12(16)5-4-11(15)2/h4-5,7-10,18-19H,3,6H2,1-2H3.
What are the key properties of 5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine?
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 320.23 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104533102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).