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

C11H13N5O — CID 14601976

IUPAC6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccccc1-c1nc(N)nc(N)n1
InChIInChI=1S/C11H13N5O/c1-2-17-8-6-4-3-5-7(8)9-14-10(12)16-11(13)15-9/h3-6H,2H2,1H3,(H4,12,13,14,15,16)
InChIKeyVUZDVGGHQFKOTC-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.10
Rot. Bonds3

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

6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 14601976) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID14601976
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccccc1-c1nc(N)nc(N)n1
InChIInChI=1S/C11H13N5O/c1-2-17-8-6-4-3-5-7(8)9-14-10(12)16-11(13)15-9/h3-6H,2H2,1H3,(H4,12,13,14,15,16)
InChIKeyVUZDVGGHQFKOTC-UHFFFAOYSA-N
XLogP1.10
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Diamino-1,3,5-triazin-2-yl)phenol
CID 97600
6-(2-Methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 667613
1,3,5-Triazine-2,4-diamine, 6-(4-methoxyphenyl)-
CID 34921
6-[4-(4-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 745572
Acetic acid 2-(4-acetylamino-6-methyl-(1,3,5)triazin-2-YL)-phenyl ester
CID 853427
2-(4,6-Diamino-1,3,5-Triazin-2-Yl)-4-Methoxyphenol
CID 135566548
6-(4-Propoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 659117
6-(4-Ethoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 660448
2-(4-Amino-6-methyl-1,3,5-triazin-2-yl)phenol
CID 705456
6-[4-(2-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 790865
6-(5-chloro-2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 826988
Acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester
CID 871154

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 14601976) is 6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine is CCOc1ccccc1-c1nc(N)nc(N)n1.
What is the InChIKey of 6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VUZDVGGHQFKOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-17-8-6-4-3-5-7(8)9-14-10(12)16-11(13)15-9/h3-6H,2H2,1H3,(H4,12,13,14,15,16).
What are the key properties of 6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 231.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14601976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).