4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine

C15H20N4O2 — CID 11833066

IUPAC4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NCCc2ccccc2)nc(OCC)n1
InChIInChI=1S/C15H20N4O2/c1-3-20-14-17-13(18-15(19-14)21-4-2)16-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,16,17,18,19)
InChIKeyBNZRROVAADPYOW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.32
Rot. Bonds8

About 4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine

4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine (PubChem CID 11833066) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine
PubChem CID11833066
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NCCc2ccccc2)nc(OCC)n1
InChIInChI=1S/C15H20N4O2/c1-3-20-14-17-13(18-15(19-14)21-4-2)16-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,16,17,18,19)
InChIKeyBNZRROVAADPYOW-UHFFFAOYSA-N
XLogP2.32
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine (CID 11833066) is 4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine is CCOc1nc(NCCc2ccccc2)nc(OCC)n1.
What is the InChIKey of 4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine?
The InChIKey is BNZRROVAADPYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-20-14-17-13(18-15(19-14)21-4-2)16-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine?
4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine has a molecular weight of 288.35 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 11833066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).