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

C10H19N5S — CID 23424472

IUPAC4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC(C)C)nc(SC)n1
InChIInChI=1S/C10H19N5S/c1-5-11-8-13-9(12-6-7(2)3)15-10(14-8)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)
InChIKeyIDDVIOBUFZEVSE-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.09
Rot. Bonds6

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

4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 23424472) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID23424472
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC(C)C)nc(SC)n1
InChIInChI=1S/C10H19N5S/c1-5-11-8-13-9(12-6-7(2)3)15-10(14-8)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)
InChIKeyIDDVIOBUFZEVSE-UHFFFAOYSA-N
XLogP2.09
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 23424472) is 4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC(C)C)nc(SC)n1.
What is the InChIKey of 4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IDDVIOBUFZEVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-5-11-8-13-9(12-6-7(2)3)15-10(14-8)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15).
What are the key properties of 4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 241.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23424472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).