4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine

C17H16N4O2 — CID 723844

IUPAC4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine
SMILESCOc1nc(OC)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C17H16N4O2/c1-22-16-18-15(19-17(20-16)23-2)21(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyHRSBITDHPVDCSM-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.36
Rot. Bonds5

About 4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine

4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine (PubChem CID 723844) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine
PubChem CID723844
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine
SMILESCOc1nc(OC)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C17H16N4O2/c1-22-16-18-15(19-17(20-16)23-2)21(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyHRSBITDHPVDCSM-UHFFFAOYSA-N
XLogP3.36
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine (CID 723844) is 4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine is COc1nc(OC)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine?
The InChIKey is HRSBITDHPVDCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-22-16-18-15(19-17(20-16)23-2)21(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine?
4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine has a molecular weight of 308.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N,N-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 723844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).