2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine

C13H25N5S — CID 19935571

IUPAC2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCSc1nc(N)nc(NC)n1
InChIInChI=1S/C13H25N5S/c1-3-4-5-6-7-8-9-10-19-13-17-11(14)16-12(15-2)18-13/h3-10H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyHYHDEZMKZPHEQS-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.34
Rot. Bonds10

About 2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine

2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 19935571) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID19935571
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC Name2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCSc1nc(N)nc(NC)n1
InChIInChI=1S/C13H25N5S/c1-3-4-5-6-7-8-9-10-19-13-17-11(14)16-12(15-2)18-13/h3-10H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyHYHDEZMKZPHEQS-UHFFFAOYSA-N
XLogP3.34
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine (CID 19935571) is 2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine is CCCCCCCCCSc1nc(N)nc(NC)n1.
What is the InChIKey of 2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HYHDEZMKZPHEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S/c1-3-4-5-6-7-8-9-10-19-13-17-11(14)16-12(15-2)18-13/h3-10H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 283.44 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-nonylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19935571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).