4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine

C15H11ClN4O — CID 80867587

IUPAC4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Oc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C15H11ClN4O/c16-13-18-14(17)20-15(19-13)21-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,17,18,19,20)
InChIKeyMMYPOEYLKICWME-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.57
Rot. Bonds3

About 4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine

4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 80867587) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine
PubChem CID80867587
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Oc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C15H11ClN4O/c16-13-18-14(17)20-15(19-13)21-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,17,18,19,20)
InChIKeyMMYPOEYLKICWME-UHFFFAOYSA-N
XLogP3.57
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine (CID 80867587) is 4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(Oc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is MMYPOEYLKICWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-13-18-14(17)20-15(19-13)21-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,17,18,19,20).
What are the key properties of 4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine?
4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 298.73 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80867587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).