N,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine

C17H16N4O2 — CID 12757361

IUPACN,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1
InChIInChI=1S/C17H16N4O2/c1-21(2)15-18-16(22-13-9-5-3-6-10-13)20-17(19-15)23-14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyOKPWNAXUCFURDC-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.52
Rot. Bonds5

About N,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine

N,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine (PubChem CID 12757361) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine
PubChem CID12757361
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1
InChIInChI=1S/C17H16N4O2/c1-21(2)15-18-16(22-13-9-5-3-6-10-13)20-17(19-15)23-14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyOKPWNAXUCFURDC-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine?
The IUPAC name of N,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine (CID 12757361) is N,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine is CN(C)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine?
The InChIKey is OKPWNAXUCFURDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21(2)15-18-16(22-13-9-5-3-6-10-13)20-17(19-15)23-14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of N,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine?
N,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine has a molecular weight of 308.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 12757361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).