6-phenoxy-1,3,5-triazine-2,4-diamine

C9H9N5O — CID 15111

IUPAC6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Oc2ccccc2)n1
InChIInChI=1S/C9H9N5O/c10-7-12-8(11)14-9(13-7)15-6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
InChIKeyLSYJAEPSXPMRGV-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.83
Rot. Bonds2

About 6-phenoxy-1,3,5-triazine-2,4-diamine

6-phenoxy-1,3,5-triazine-2,4-diamine (PubChem CID 15111) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 6-phenoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-phenoxy-1,3,5-triazine-2,4-diamine
PubChem CID15111
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Oc2ccccc2)n1
InChIInChI=1S/C9H9N5O/c10-7-12-8(11)14-9(13-7)15-6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
InChIKeyLSYJAEPSXPMRGV-UHFFFAOYSA-N
XLogP0.83
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-phenoxy-1,3,5-triazine-2,4-diamine (CID 15111) is 6-phenoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-phenoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-phenoxy-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(Oc2ccccc2)n1.
What is the InChIKey of 6-phenoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is LSYJAEPSXPMRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-7-12-8(11)14-9(13-7)15-6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14).
What are the key properties of 6-phenoxy-1,3,5-triazine-2,4-diamine?
6-phenoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 203.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).