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

C6H11N5S — CID 603744

IUPAC2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(SC)n1
InChIInChI=1S/C6H11N5S/c1-3-8-5-9-4(7)10-6(11-5)12-2/h3H2,1-2H3,(H3,7,8,9,10,11)
InChIKeyCMKCJDAIKRRBDY-UHFFFAOYSA-N
MW185.26 g/mol
LogP0.61
Rot. Bonds3

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

2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 603744) has the molecular formula C6H11N5S and a molecular weight of 185.26 g/mol. Its IUPAC name is 2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID603744
Molecular FormulaC6H11N5S
Molecular Weight185.26 g/mol
Exact Mass185.07
IUPAC Name2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(SC)n1
InChIInChI=1S/C6H11N5S/c1-3-8-5-9-4(7)10-6(11-5)12-2/h3H2,1-2H3,(H3,7,8,9,10,11)
InChIKeyCMKCJDAIKRRBDY-UHFFFAOYSA-N
XLogP0.61
TPSA76.72 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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 603744) is 2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CCNc1nc(N)nc(SC)n1.
What is the InChIKey of 2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CMKCJDAIKRRBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5S/c1-3-8-5-9-4(7)10-6(11-5)12-2/h3H2,1-2H3,(H3,7,8,9,10,11).
What are the key properties of 2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 185.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 603744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).