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

C11H13N5 — CID 23274232

IUPAC6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1-c1nc(N)nc(N)n1
InChIInChI=1S/C11H13N5/c1-2-7-5-3-4-6-8(7)9-14-10(12)16-11(13)15-9/h3-6H,2H2,1H3,(H4,12,13,14,15,16)
InChIKeyLCYBPFAFLRTTJG-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.27
Rot. Bonds2

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

6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23274232) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID23274232
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1-c1nc(N)nc(N)n1
InChIInChI=1S/C11H13N5/c1-2-7-5-3-4-6-8(7)9-14-10(12)16-11(13)15-9/h3-6H,2H2,1H3,(H4,12,13,14,15,16)
InChIKeyLCYBPFAFLRTTJG-UHFFFAOYSA-N
XLogP1.27
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine (CID 23274232) is 6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine is CCc1ccccc1-c1nc(N)nc(N)n1.
What is the InChIKey of 6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LCYBPFAFLRTTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-7-5-3-4-6-8(7)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-ethylphenyl)-1,3,5-triazine-2,4-diamine?
6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23274232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).