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

C13H17N5O2 — CID 80763478

IUPAC6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2ccccc2OCC)n1
InChIInChI=1S/C13H17N5O2/c1-3-19-10-8-6-5-7-9(10)15-12-16-11(14)17-13(18-12)20-4-2/h5-8H,3-4H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyCEFSDBBLOFKICP-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.99
Rot. Bonds6

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

6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80763478) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80763478
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2ccccc2OCC)n1
InChIInChI=1S/C13H17N5O2/c1-3-19-10-8-6-5-7-9(10)15-12-16-11(14)17-13(18-12)20-4-2/h5-8H,3-4H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyCEFSDBBLOFKICP-UHFFFAOYSA-N
XLogP1.99
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80760788
6-ethoxy-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80768642
4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80926816
6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754761
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238
2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80825083
2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753951
2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80762744
6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 80778104
4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80928193
6-ethoxy-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80758411

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 80763478) is 6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(Nc2ccccc2OCC)n1.
What is the InChIKey of 6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CEFSDBBLOFKICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-19-10-8-6-5-7-9(10)15-12-16-11(14)17-13(18-12)20-4-2/h5-8H,3-4H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 275.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80763478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).