2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine

C20H18N6O — CID 1088063

IUPAC2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(COc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C20H18N6O/c1-13-7-9-15(10-8-13)23-20-25-17(24-19(21)26-20)12-27-16-6-2-4-14-5-3-11-22-18(14)16/h2-11H,12H2,1H3,(H3,21,23,24,25,26)
InChIKeyVFLMJVJZQZXQJQ-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.63
Rot. Bonds5

About 2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine

2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1088063) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine
PubChem CID1088063
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(COc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C20H18N6O/c1-13-7-9-15(10-8-13)23-20-25-17(24-19(21)26-20)12-27-16-6-2-4-14-5-3-11-22-18(14)16/h2-11H,12H2,1H3,(H3,21,23,24,25,26)
InChIKeyVFLMJVJZQZXQJQ-UHFFFAOYSA-N
XLogP3.63
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine (CID 1088063) is 2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(N)nc(COc3cccc4cccnc34)n2)cc1.
What is the InChIKey of 2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VFLMJVJZQZXQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-13-7-9-15(10-8-13)23-20-25-17(24-19(21)26-20)12-27-16-6-2-4-14-5-3-11-22-18(14)16/h2-11H,12H2,1H3,(H3,21,23,24,25,26).
What are the key properties of 2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 358.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylphenyl)-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1088063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).