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

C6H11N5S — CID 112681469

IUPAC6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
SMILESCSCCc1nc(N)nc(N)n1
InChIInChI=1S/C6H11N5S/c1-12-3-2-4-9-5(7)11-6(8)10-4/h2-3H2,1H3,(H4,7,8,9,10,11)
InChIKeyIPYIFRMUMOSOQX-UHFFFAOYSA-N
MW185.26 g/mol
LogP-0.06
Rot. Bonds3

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

6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112681469) has the molecular formula C6H11N5S and a molecular weight of 185.26 g/mol. Its IUPAC name is 6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID112681469
Molecular FormulaC6H11N5S
Molecular Weight185.26 g/mol
Exact Mass185.07
IUPAC Name6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
SMILESCSCCc1nc(N)nc(N)n1
InChIInChI=1S/C6H11N5S/c1-12-3-2-4-9-5(7)11-6(8)10-4/h2-3H2,1H3,(H4,7,8,9,10,11)
InChIKeyIPYIFRMUMOSOQX-UHFFFAOYSA-N
XLogP-0.06
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine (CID 112681469) is 6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine is CSCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IPYIFRMUMOSOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5S/c1-12-3-2-4-9-5(7)11-6(8)10-4/h2-3H2,1H3,(H4,7,8,9,10,11).
What are the key properties of 6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 185.26 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).