6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine

C16H16N6 — CID 39830820

IUPAC6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccccc2)nc(-c2ccccc2N)n1
InChIInChI=1S/C16H16N6/c17-13-9-5-4-8-12(13)14-20-15(18)22-16(21-14)19-10-11-6-2-1-3-7-11/h1-9H,10,17H2,(H3,18,19,20,21,22)
InChIKeyYSUCQFGQESRAEP-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.32
Rot. Bonds4

About 6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine

6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine (PubChem CID 39830820) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine
PubChem CID39830820
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccccc2)nc(-c2ccccc2N)n1
InChIInChI=1S/C16H16N6/c17-13-9-5-4-8-12(13)14-20-15(18)22-16(21-14)19-10-11-6-2-1-3-7-11/h1-9H,10,17H2,(H3,18,19,20,21,22)
InChIKeyYSUCQFGQESRAEP-UHFFFAOYSA-N
XLogP2.32
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine (CID 39830820) is 6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine is Nc1nc(NCc2ccccc2)nc(-c2ccccc2N)n1.
What is the InChIKey of 6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YSUCQFGQESRAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c17-13-9-5-4-8-12(13)14-20-15(18)22-16(21-14)19-10-11-6-2-1-3-7-11/h1-9H,10,17H2,(H3,18,19,20,21,22).
What are the key properties of 6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine?
6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine has a molecular weight of 292.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminophenyl)-2-N-benzyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 39830820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).