6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine

C6H11N5S — CID 163777256

IUPAC6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
SMILESCSC(C)c1nc(N)nc(N)n1
InChIInChI=1S/C6H11N5S/c1-3(12-2)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H4,7,8,9,10,11)
InChIKeyMLNUGQWIWWWHPZ-UHFFFAOYSA-N
MW185.26 g/mol
LogP0.46
Rot. Bonds2

About 6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine

6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 163777256) has the molecular formula C6H11N5S and a molecular weight of 185.26 g/mol. Its IUPAC name is 6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID163777256
Molecular FormulaC6H11N5S
Molecular Weight185.26 g/mol
Exact Mass185.07
IUPAC Name6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
SMILESCSC(C)c1nc(N)nc(N)n1
InChIInChI=1S/C6H11N5S/c1-3(12-2)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H4,7,8,9,10,11)
InChIKeyMLNUGQWIWWWHPZ-UHFFFAOYSA-N
XLogP0.46
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine (CID 163777256) is 6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine is CSC(C)c1nc(N)nc(N)n1.
What is the InChIKey of 6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MLNUGQWIWWWHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5S/c1-3(12-2)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H4,7,8,9,10,11).
What are the key properties of 6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 185.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 163777256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).