4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine

C6H10N4S — CID 2726596

IUPAC4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine
SMILESCCSc1nc(C)nc(N)n1
InChIInChI=1S/C6H10N4S/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)
InChIKeyPJQMCVIFTDRXNT-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.87
Rot. Bonds2

About 4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine

4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine (PubChem CID 2726596) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine
PubChem CID2726596
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine
SMILESCCSc1nc(C)nc(N)n1
InChIInChI=1S/C6H10N4S/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)
InChIKeyPJQMCVIFTDRXNT-UHFFFAOYSA-N
XLogP0.87
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine (CID 2726596) is 4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine is CCSc1nc(C)nc(N)n1.
What is the InChIKey of 4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is PJQMCVIFTDRXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10).
What are the key properties of 4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine?
4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 170.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2726596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).