4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine

C13H16N4O2 — CID 80859346

IUPAC4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OCc2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-3-18-12-15-11(14-2)16-13(17-12)19-9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,14,15,16,17)
InChIKeyGPEHVHHRMLNOLV-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.89
Rot. Bonds6

About 4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine

4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine (PubChem CID 80859346) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
PubChem CID80859346
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OCc2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-3-18-12-15-11(14-2)16-13(17-12)19-9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,14,15,16,17)
InChIKeyGPEHVHHRMLNOLV-UHFFFAOYSA-N
XLogP1.89
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine (CID 80859346) is 4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(OCc2ccccc2)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine?
The InChIKey is GPEHVHHRMLNOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-18-12-15-11(14-2)16-13(17-12)19-9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine has a molecular weight of 260.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80859346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).