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

C10H18N4S — CID 80839162

IUPAC6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine
SMILESCNc1cncc(NCC(C)CSC)n1
InChIInChI=1S/C10H18N4S/c1-8(7-15-3)4-13-10-6-12-5-9(11-2)14-10/h5-6,8H,4,7H2,1-3H3,(H2,11,13,14)
InChIKeyVHTNUFAZUUIBKK-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.93
Rot. Bonds6

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

6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine (PubChem CID 80839162) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine
PubChem CID80839162
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine
SMILESCNc1cncc(NCC(C)CSC)n1
InChIInChI=1S/C10H18N4S/c1-8(7-15-3)4-13-10-6-12-5-9(11-2)14-10/h5-6,8H,4,7H2,1-3H3,(H2,11,13,14)
InChIKeyVHTNUFAZUUIBKK-UHFFFAOYSA-N
XLogP1.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-6-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,6-diamine
CID 80839793
2-N-(2-ethylhexyl)-6-N-methylpyrazine-2,6-diamine
CID 114004493
2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565150
3-[(6-hydrazinylpyrazin-2-yl)amino]-2-methylpropan-1-ol
CID 80915442
2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80839670
6-N-methyl-2-N-(2,2,3,3-tetrafluoropropyl)pyrazine-2,6-diamine
CID 106296079
1-[[6-(ethylamino)pyrazin-2-yl]amino]propan-2-ol
CID 78990450
2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80937623
2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838892
3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol
CID 133484788
6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine
CID 106433932
4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80839408

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine (CID 80839162) is 6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine is CNc1cncc(NCC(C)CSC)n1.
What is the InChIKey of 6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine?
The InChIKey is VHTNUFAZUUIBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8(7-15-3)4-13-10-6-12-5-9(11-2)14-10/h5-6,8H,4,7H2,1-3H3,(H2,11,13,14).
What are the key properties of 6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine?
6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine has a molecular weight of 226.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80839162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).