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

C10H19N5S — CID 70377054

IUPAC2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
SMILESCSCCc1nc(N)nc(NC(C)(C)C)n1
InChIInChI=1S/C10H19N5S/c1-10(2,3)15-9-13-7(5-6-16-4)12-8(11)14-9/h5-6H2,1-4H3,(H3,11,12,13,14,15)
InChIKeyWVVQEVIVNSBAJP-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.57
Rot. Bonds4

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

2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 70377054) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID70377054
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
SMILESCSCCc1nc(N)nc(NC(C)(C)C)n1
InChIInChI=1S/C10H19N5S/c1-10(2,3)15-9-13-7(5-6-16-4)12-8(11)14-9/h5-6H2,1-4H3,(H3,11,12,13,14,15)
InChIKeyWVVQEVIVNSBAJP-UHFFFAOYSA-N
XLogP1.57
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine (CID 70377054) is 2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine is CSCCc1nc(N)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WVVQEVIVNSBAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-10(2,3)15-9-13-7(5-6-16-4)12-8(11)14-9/h5-6H2,1-4H3,(H3,11,12,13,14,15).
What are the key properties of 2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 241.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 70377054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).