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

C8H15N5S — CID 13019211

IUPAC2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(N)nc(NC(C)(C)C)n1
InChIInChI=1S/C8H15N5S/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)
InChIKeyMWWBDLRPMWTLRX-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.39
Rot. Bonds2

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

2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 13019211) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID13019211
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(N)nc(NC(C)(C)C)n1
InChIInChI=1S/C8H15N5S/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)
InChIKeyMWWBDLRPMWTLRX-UHFFFAOYSA-N
XLogP1.39
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.39
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-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 13019211) is 2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CSc1nc(N)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MWWBDLRPMWTLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13).
What are the key properties of 2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 213.31 g/mol, XLogP of 1.39, 2 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-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13019211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).