4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine

C20H24N6 — CID 71105302

IUPAC4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Nc2ncnc(Nc3ccc(C)c(C)c3C)n2)c(C)c(C)n1
InChIInChI=1S/C20H24N6/c1-11-7-8-17(14(4)13(11)3)24-19-21-10-22-20(26-19)25-18-9-12(2)23-16(6)15(18)5/h7-10H,1-6H3,(H2,21,22,23,24,25,26)
InChIKeyAOEHYIGILUIXSE-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.60
Rot. Bonds4

About 4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine

4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine (PubChem CID 71105302) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine
PubChem CID71105302
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Nc2ncnc(Nc3ccc(C)c(C)c3C)n2)c(C)c(C)n1
InChIInChI=1S/C20H24N6/c1-11-7-8-17(14(4)13(11)3)24-19-21-10-22-20(26-19)25-18-9-12(2)23-16(6)15(18)5/h7-10H,1-6H3,(H2,21,22,23,24,25,26)
InChIKeyAOEHYIGILUIXSE-UHFFFAOYSA-N
XLogP4.60
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine (CID 71105302) is 4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine is Cc1cc(Nc2ncnc(Nc3ccc(C)c(C)c3C)n2)c(C)c(C)n1.
What is the InChIKey of 4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AOEHYIGILUIXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-11-7-8-17(14(4)13(11)3)24-19-21-10-22-20(26-19)25-18-9-12(2)23-16(6)15(18)5/h7-10H,1-6H3,(H2,21,22,23,24,25,26).
What are the key properties of 4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine?
4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3,4-trimethylphenyl)-2-N-(2,3,6-trimethyl-4-pyridinyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 71105302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).