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

C15H13N5O — CID 745052

IUPAC6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C15H13N5O/c16-14-18-13(19-15(17)20-14)10-6-8-12(9-7-10)21-11-4-2-1-3-5-11/h1-9H,(H4,16,17,18,19,20)
InChIKeyAJYIIQHOGSLLEA-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.50
Rot. Bonds3

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

6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 745052) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID745052
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C15H13N5O/c16-14-18-13(19-15(17)20-14)10-6-8-12(9-7-10)21-11-4-2-1-3-5-11/h1-9H,(H4,16,17,18,19,20)
InChIKeyAJYIIQHOGSLLEA-UHFFFAOYSA-N
XLogP2.50
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 745052) is 6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AJYIIQHOGSLLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-14-18-13(19-15(17)20-14)10-6-8-12(9-7-10)21-11-4-2-1-3-5-11/h1-9H,(H4,16,17,18,19,20).
What are the key properties of 6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 279.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 745052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).