N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C26H32N6 — CID 58865899

IUPACN-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESc1ccc(-c2ccccc2CNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C26H32N6/c1-4-12-21(13-5-1)23-15-7-6-14-22(23)20-27-24-28-25(31-16-8-2-9-17-31)30-26(29-24)32-18-10-3-11-19-32/h1,4-7,12-15H,2-3,8-11,16-20H2,(H,27,28,29,30)
InChIKeyYPJMEBXNYXICIR-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.13
Rot. Bonds6

About N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 58865899) has the molecular formula C26H32N6 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID58865899
Molecular FormulaC26H32N6
Molecular Weight428.58 g/mol
Exact Mass428.27
IUPAC NameN-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESc1ccc(-c2ccccc2CNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C26H32N6/c1-4-12-21(13-5-1)23-15-7-6-14-22(23)20-27-24-28-25(31-16-8-2-9-17-31)30-26(29-24)32-18-10-3-11-19-32/h1,4-7,12-15H,2-3,8-11,16-20H2,(H,27,28,29,30)
InChIKeyYPJMEBXNYXICIR-UHFFFAOYSA-N
XLogP5.13
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 58865899) is N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is c1ccc(-c2ccccc2CNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is YPJMEBXNYXICIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6/c1-4-12-21(13-5-1)23-15-7-6-14-22(23)20-27-24-28-25(31-16-8-2-9-17-31)30-26(29-24)32-18-10-3-11-19-32/h1,4-7,12-15H,2-3,8-11,16-20H2,(H,27,28,29,30).
What are the key properties of N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 428.58 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 58865899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).