5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine

C15H19N3S — CID 104532143

IUPAC5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2ccc(SC)cc2)c1
InChIInChI=1S/C15H19N3S/c1-3-8-17-13-9-14(11-16-10-13)18-12-4-6-15(19-2)7-5-12/h4-7,9-11,17-18H,3,8H2,1-2H3
InChIKeyPRWGZHVGJJIZTA-UHFFFAOYSA-N
MW273.41 g/mol
LogP4.37
Rot. Bonds6

About 5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine

5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104532143) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104532143
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2ccc(SC)cc2)c1
InChIInChI=1S/C15H19N3S/c1-3-8-17-13-9-14(11-16-10-13)18-12-4-6-15(19-2)7-5-12/h4-7,9-11,17-18H,3,8H2,1-2H3
InChIKeyPRWGZHVGJJIZTA-UHFFFAOYSA-N
XLogP4.37
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532326
5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine
CID 104531457
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine
CID 104532161
5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532100
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine
CID 104535267
4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80759731
5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532112
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532272
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine (CID 104532143) is 5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(Nc2ccc(SC)cc2)c1.
What is the InChIKey of 5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is PRWGZHVGJJIZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-8-17-13-9-14(11-16-10-13)18-12-4-6-15(19-2)7-5-12/h4-7,9-11,17-18H,3,8H2,1-2H3.
What are the key properties of 5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine?
5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 273.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104532143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).