2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C5H9N5S — CID 14833493

IUPAC2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N)nc(SC)n1
InChIInChI=1S/C5H9N5S/c1-7-4-8-3(6)9-5(10-4)11-2/h1-2H3,(H3,6,7,8,9,10)
InChIKeyNKJBDXIYARFZLE-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.22
Rot. Bonds2

About 2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 14833493) has the molecular formula C5H9N5S and a molecular weight of 171.23 g/mol. Its IUPAC name is 2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID14833493
Molecular FormulaC5H9N5S
Molecular Weight171.23 g/mol
Exact Mass171.06
IUPAC Name2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N)nc(SC)n1
InChIInChI=1S/C5H9N5S/c1-7-4-8-3(6)9-5(10-4)11-2/h1-2H3,(H3,6,7,8,9,10)
InChIKeyNKJBDXIYARFZLE-UHFFFAOYSA-N
XLogP0.22
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 14833493) is 2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CNc1nc(N)nc(SC)n1.
What is the InChIKey of 2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NKJBDXIYARFZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5S/c1-7-4-8-3(6)9-5(10-4)11-2/h1-2H3,(H3,6,7,8,9,10).
What are the key properties of 2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 171.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14833493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).