4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine

C17H16N4O2 — CID 117089002

IUPAC4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(Nc3ccccc3)nc(OC)n2)cc1
InChIInChI=1S/C17H16N4O2/c1-22-14-10-8-12(9-11-14)15-19-16(21-17(20-15)23-2)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19,20,21)
InChIKeyNCDKXGSAPMDDEM-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.30
Rot. Bonds5

About 4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine

4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 117089002) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine
PubChem CID117089002
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(Nc3ccccc3)nc(OC)n2)cc1
InChIInChI=1S/C17H16N4O2/c1-22-14-10-8-12(9-11-14)15-19-16(21-17(20-15)23-2)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19,20,21)
InChIKeyNCDKXGSAPMDDEM-UHFFFAOYSA-N
XLogP3.30
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine (CID 117089002) is 4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine is COc1ccc(-c2nc(Nc3ccccc3)nc(OC)n2)cc1.
What is the InChIKey of 4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is NCDKXGSAPMDDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-22-14-10-8-12(9-11-14)15-19-16(21-17(20-15)23-2)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19,20,21).
What are the key properties of 4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine?
4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 308.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 117089002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).