2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine

C16H23N5OS — CID 4142211

IUPAC2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1OCCSc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C16H23N5OS/c1-12-8-6-7-9-13(12)22-10-11-23-16-18-14(20(2)3)17-15(19-16)21(4)5/h6-9H,10-11H2,1-5H3
InChIKeyPCCNMTUEIUWMJD-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.48
Rot. Bonds7

About 2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine (PubChem CID 4142211) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine
PubChem CID4142211
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1OCCSc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C16H23N5OS/c1-12-8-6-7-9-13(12)22-10-11-23-16-18-14(20(2)3)17-15(19-16)21(4)5/h6-9H,10-11H2,1-5H3
InChIKeyPCCNMTUEIUWMJD-UHFFFAOYSA-N
XLogP2.48
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine (CID 4142211) is 2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine is Cc1ccccc1OCCSc1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PCCNMTUEIUWMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-12-8-6-7-9-13(12)22-10-11-23-16-18-14(20(2)3)17-15(19-16)21(4)5/h6-9H,10-11H2,1-5H3.
What are the key properties of 2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 333.46 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetramethyl-6-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 4142211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).