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

C11H13N5O2 — CID 25271557

IUPAC6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(OCCOc2ccccc2)n1
InChIInChI=1S/C11H13N5O2/c12-9-14-10(13)16-11(15-9)18-7-6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,12,13,14,15,16)
InChIKeyLRQXUZUFSOQMGU-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.49
Rot. Bonds5

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

6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 25271557) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID25271557
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(OCCOc2ccccc2)n1
InChIInChI=1S/C11H13N5O2/c12-9-14-10(13)16-11(15-9)18-7-6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,12,13,14,15,16)
InChIKeyLRQXUZUFSOQMGU-UHFFFAOYSA-N
XLogP0.49
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine (CID 25271557) is 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(OCCOc2ccccc2)n1.
What is the InChIKey of 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is LRQXUZUFSOQMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-9-14-10(13)16-11(15-9)18-7-6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,12,13,14,15,16).
What are the key properties of 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine?
6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 247.26 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 25271557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).