4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine

C7H12N4S — CID 63869129

IUPAC4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CSC)n1
InChIInChI=1S/C7H12N4S/c1-3-5-9-6(4-12-2)11-7(8)10-5/h3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyUXOGTJDNWRUOTM-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.88
Rot. Bonds3

About 4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine

4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63869129) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
PubChem CID63869129
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CSC)n1
InChIInChI=1S/C7H12N4S/c1-3-5-9-6(4-12-2)11-7(8)10-5/h3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyUXOGTJDNWRUOTM-UHFFFAOYSA-N
XLogP0.88
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine (CID 63869129) is 4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine is CCc1nc(N)nc(CSC)n1.
What is the InChIKey of 4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is UXOGTJDNWRUOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-3-5-9-6(4-12-2)11-7(8)10-5/h3-4H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 184.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63869129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).