4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine

C15H21N5OS — CID 2056713

IUPAC4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(SCCOc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C15H21N5OS/c1-4-16-13-17-14(20(2)3)19-15(18-13)22-11-10-21-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,17,18,19)
InChIKeyHFEKSIAWANDSHK-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.54
Rot. Bonds8

About 4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2056713) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine
PubChem CID2056713
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(SCCOc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C15H21N5OS/c1-4-16-13-17-14(20(2)3)19-15(18-13)22-11-10-21-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,17,18,19)
InChIKeyHFEKSIAWANDSHK-UHFFFAOYSA-N
XLogP2.54
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
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 4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine (CID 2056713) is 4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(SCCOc2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HFEKSIAWANDSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-4-16-13-17-14(20(2)3)19-15(18-13)22-11-10-21-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,17,18,19).
What are the key properties of 4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 319.43 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N,2-N-dimethyl-6-(2-phenoxyethylsulfanyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2056713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).