2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine

C21H25N5 — CID 10593781

IUPAC2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C21H25N5/c1-6-26(18-10-8-7-9-11-18)21-23-17(5)22-20(25-21)24-19-15(3)12-14(2)13-16(19)4/h7-13H,6H2,1-5H3,(H,22,23,24,25)
InChIKeyVSJPKGBBTQLQTI-UHFFFAOYSA-N
MW347.47 g/mol
LogP5.01
Rot. Bonds5

About 2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine

2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10593781) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID10593781
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C21H25N5/c1-6-26(18-10-8-7-9-11-18)21-23-17(5)22-20(25-21)24-19-15(3)12-14(2)13-16(19)4/h7-13H,6H2,1-5H3,(H,22,23,24,25)
InChIKeyVSJPKGBBTQLQTI-UHFFFAOYSA-N
XLogP5.01
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine (CID 10593781) is 2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine is CCN(c1ccccc1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VSJPKGBBTQLQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-6-26(18-10-8-7-9-11-18)21-23-17(5)22-20(25-21)24-19-15(3)12-14(2)13-16(19)4/h7-13H,6H2,1-5H3,(H,22,23,24,25).
What are the key properties of 2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 347.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10593781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).