6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

C13H17N5O — CID 80778104

IUPAC6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCCc2ccccc2)n1
InChIInChI=1S/C13H17N5O/c1-2-19-13-17-11(14)16-12(18-13)15-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H3,14,15,16,17,18)
InChIKeyGEYCVCOFFJUPOK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.51
Rot. Bonds6

About 6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80778104) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80778104
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCCc2ccccc2)n1
InChIInChI=1S/C13H17N5O/c1-2-19-13-17-11(14)16-12(18-13)15-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H3,14,15,16,17,18)
InChIKeyGEYCVCOFFJUPOK-UHFFFAOYSA-N
XLogP1.51
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771068
6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 103012620
2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80794144
6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106412361
4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80772443
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80791788
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478
6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80812342
2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80760788
2-N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80832000

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (CID 80778104) is 6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NCCc2ccccc2)n1.
What is the InChIKey of 6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GEYCVCOFFJUPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-19-13-17-11(14)16-12(18-13)15-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 259.31 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80778104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).