2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine

C11H19N3S — CID 80839793

IUPAC2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine
SMILESCNc1cccc(NCC(C)CSC)n1
InChIInChI=1S/C11H19N3S/c1-9(8-15-3)7-13-11-6-4-5-10(12-2)14-11/h4-6,9H,7-8H2,1-3H3,(H2,12,13,14)
InChIKeyYVUQTCIHEVRZKT-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.53
Rot. Bonds6

About 2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine

2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine (PubChem CID 80839793) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine
PubChem CID80839793
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine
SMILESCNc1cccc(NCC(C)CSC)n1
InChIInChI=1S/C11H19N3S/c1-9(8-15-3)7-13-11-6-4-5-10(12-2)14-11/h4-6,9H,7-8H2,1-3H3,(H2,12,13,14)
InChIKeyYVUQTCIHEVRZKT-UHFFFAOYSA-N
XLogP2.53
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine
CID 80839162
1-[[6-(methylamino)-2-pyridinyl]amino]propan-2-ol
CID 80780222
2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
CID 80839882
2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838892
2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565150
6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine
CID 115916202
2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80839670
4-[(6-hydrazinyl-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 80921705
2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80983553
N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 78957763
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79267876
2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80937623

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine (CID 80839793) is 2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine is CNc1cccc(NCC(C)CSC)n1.
What is the InChIKey of 2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine?
The InChIKey is YVUQTCIHEVRZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(8-15-3)7-13-11-6-4-5-10(12-2)14-11/h4-6,9H,7-8H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine?
2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine has a molecular weight of 225.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine is sourced from PubChem (CID 80839793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).