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

C19H20N4O2 — CID 686437

IUPACN,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c1-3-23(4-2)17-20-18(24-15-11-7-5-8-12-15)22-19(21-17)25-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyQMXXSXQPMJQWIF-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.30
Rot. Bonds7

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

N,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine (PubChem CID 686437) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine
PubChem CID686437
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c1-3-23(4-2)17-20-18(24-15-11-7-5-8-12-15)22-19(21-17)25-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyQMXXSXQPMJQWIF-UHFFFAOYSA-N
XLogP4.30
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine (CID 686437) is N,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine is CCN(CC)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1.
What is the InChIKey of N,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine?
The InChIKey is QMXXSXQPMJQWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-23(4-2)17-20-18(24-15-11-7-5-8-12-15)22-19(21-17)25-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine?
N,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine has a molecular weight of 336.40 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,6-diphenoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 686437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).