ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

C13H25N5S — CID 67854525

IUPACethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESC=C.CCSc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C11H21N5S.C2H4/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5;1-2/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16);1-2H2
InChIKeySZCCHMXJAZDBPL-UHFFFAOYSA-N
MW283.45 g/mol
LogP3.43
Rot. Bonds6

About ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 67854525) has the molecular formula C13H25N5S and a molecular weight of 283.45 g/mol. Its IUPAC name is ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Nameethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID67854525
Molecular FormulaC13H25N5S
Molecular Weight283.45 g/mol
Exact Mass283.18
IUPAC Nameethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESC=C.CCSc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C11H21N5S.C2H4/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5;1-2/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16);1-2H2
InChIKeySZCCHMXJAZDBPL-UHFFFAOYSA-N
XLogP3.43
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (CID 67854525) is ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is C=C.CCSc1nc(NC(C)C)nc(NC(C)C)n1.
What is the InChIKey of ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SZCCHMXJAZDBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S.C2H4/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5;1-2/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16);1-2H2.
What are the key properties of ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 283.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67854525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).