N-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine

C17H16N4O2 — CID 23536439

IUPACN-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(-c3ccccc3)n2)cc(OC)c1
InChIInChI=1S/C17H16N4O2/c1-22-14-8-13(9-15(10-14)23-2)20-17-19-11-18-16(21-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19,20,21)
InChIKeyWCEBLYTUXXGMMO-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.30
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine

N-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine (PubChem CID 23536439) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine
PubChem CID23536439
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(-c3ccccc3)n2)cc(OC)c1
InChIInChI=1S/C17H16N4O2/c1-22-14-8-13(9-15(10-14)23-2)20-17-19-11-18-16(21-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19,20,21)
InChIKeyWCEBLYTUXXGMMO-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 N-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine (CID 23536439) is N-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine is COc1cc(Nc2ncnc(-c3ccccc3)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine?
The InChIKey is WCEBLYTUXXGMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-22-14-8-13(9-15(10-14)23-2)20-17-19-11-18-16(21-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19,20,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine?
N-(3,5-dimethoxyphenyl)-4-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 N-(3,5-dimethoxyphenyl)-4-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23536439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).