4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine

C13H23N3S — CID 113367858

IUPAC4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(NCC(C)CSC)ccn1
InChIInChI=1S/C13H23N3S/c1-4-6-14-13-8-12(5-7-15-13)16-9-11(2)10-17-3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H2,14,15,16)
InChIKeyJZOXUFAUSNFNPR-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.31
Rot. Bonds8

About 4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine

4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine (PubChem CID 113367858) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine
PubChem CID113367858
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(NCC(C)CSC)ccn1
InChIInChI=1S/C13H23N3S/c1-4-6-14-13-8-12(5-7-15-13)16-9-11(2)10-17-3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H2,14,15,16)
InChIKeyJZOXUFAUSNFNPR-UHFFFAOYSA-N
XLogP3.31
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol
CID 114094092
4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
CID 107818927
4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide
CID 63965708
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 63960049
2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 113484591
(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 114982685
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-propylpyridine-2,4-diamine
CID 113367699
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine
CID 113368019
5-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839291
4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine
CID 106041619
2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838892
1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159665

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine?
The IUPAC name of 4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine (CID 113367858) is 4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine is CCCNc1cc(NCC(C)CSC)ccn1.
What is the InChIKey of 4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine?
The InChIKey is JZOXUFAUSNFNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-6-14-13-8-12(5-7-15-13)16-9-11(2)10-17-3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine?
4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine has a molecular weight of 253.41 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 113367858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).