2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine

C18H19N5O — CID 86574122

IUPAC2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)c(Oc2nc(N)nc(Nc3ccccc3)n2)c(C)c1
InChIInChI=1S/C18H19N5O/c1-11-9-12(2)15(13(3)10-11)24-18-22-16(19)21-17(23-18)20-14-7-5-4-6-8-14/h4-10H,1-3H3,(H3,19,20,21,22,23)
InChIKeyMWPNCIGQTGUTPD-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.91
Rot. Bonds4

About 2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine

2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 86574122) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
PubChem CID86574122
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)c(Oc2nc(N)nc(Nc3ccccc3)n2)c(C)c1
InChIInChI=1S/C18H19N5O/c1-11-9-12(2)15(13(3)10-11)24-18-22-16(19)21-17(23-18)20-14-7-5-4-6-8-14/h4-10H,1-3H3,(H3,19,20,21,22,23)
InChIKeyMWPNCIGQTGUTPD-UHFFFAOYSA-N
XLogP3.91
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine (CID 86574122) is 2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine is Cc1cc(C)c(Oc2nc(N)nc(Nc3ccccc3)n2)c(C)c1.
What is the InChIKey of 2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is MWPNCIGQTGUTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-9-12(2)15(13(3)10-11)24-18-22-16(19)21-17(23-18)20-14-7-5-4-6-8-14/h4-10H,1-3H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine?
2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 321.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 86574122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).