2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine

C9H15N3S — CID 80839882

IUPAC2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
SMILESCNc1cccc(NCCSC)n1
InChIInChI=1S/C9H15N3S/c1-10-8-4-3-5-9(12-8)11-6-7-13-2/h3-5H,6-7H2,1-2H3,(H2,10,11,12)
InChIKeyUWEMKURFYUUURY-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.90
Rot. Bonds5

About 2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine

2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine (PubChem CID 80839882) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
PubChem CID80839882
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
SMILESCNc1cccc(NCCSC)n1
InChIInChI=1S/C9H15N3S/c1-10-8-4-3-5-9(12-8)11-6-7-13-2/h3-5H,6-7H2,1-2H3,(H2,10,11,12)
InChIKeyUWEMKURFYUUURY-UHFFFAOYSA-N
XLogP1.90
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 63965022
2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine
CID 80839793
6-N-[3-(dimethylamino)propyl]-2-N-methylpyridine-2,6-diamine
CID 80778351
N-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]acetamide
CID 80786842
6-N-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960012
2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
CID 80832526
4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol
CID 80798348
6-methoxy-N-(3-methylsulfanylpropyl)pyridin-2-amine
CID 63965720
5-[[6-(methylamino)-2-pyridinyl]amino]pentanamide
CID 106241556
6-bromo-N-(2-methylsulfanylethyl)quinolin-2-amine
CID 133391748
2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 80839141
1-[[6-(methylamino)-2-pyridinyl]amino]propan-2-ol
CID 80780222

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine (CID 80839882) is 2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine is CNc1cccc(NCCSC)n1.
What is the InChIKey of 2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine?
The InChIKey is UWEMKURFYUUURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-10-8-4-3-5-9(12-8)11-6-7-13-2/h3-5H,6-7H2,1-2H3,(H2,10,11,12).
What are the key properties of 2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine?
2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine has a molecular weight of 197.31 g/mol, XLogP of 1.90, 5 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-methylsulfanylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80839882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).