1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine

C16H17N5 — CID 2794241

IUPAC1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine
SMILESCc1ccc(N2C(N)=NC(N)=NC2c2ccccc2)cc1
InChIInChI=1S/C16H17N5/c1-11-7-9-13(10-8-11)21-14(12-5-3-2-4-6-12)19-15(17)20-16(21)18/h2-10,14H,1H3,(H4,17,18,19,20)
InChIKeyXMMWXKISOBGJLA-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.14
Rot. Bonds2

About 1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine

1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine (PubChem CID 2794241) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine
PubChem CID2794241
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine
SMILESCc1ccc(N2C(N)=NC(N)=NC2c2ccccc2)cc1
InChIInChI=1S/C16H17N5/c1-11-7-9-13(10-8-11)21-14(12-5-3-2-4-6-12)19-15(17)20-16(21)18/h2-10,14H,1H3,(H4,17,18,19,20)
InChIKeyXMMWXKISOBGJLA-UHFFFAOYSA-N
XLogP2.14
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine (CID 2794241) is 1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine is Cc1ccc(N2C(N)=NC(N)=NC2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is XMMWXKISOBGJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-7-9-13(10-8-11)21-14(12-5-3-2-4-6-12)19-15(17)20-16(21)18/h2-10,14H,1H3,(H4,17,18,19,20).
What are the key properties of 1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine?
1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 279.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 2794241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).