N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine

C20H22N6 — CID 25256950

IUPACN-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C20H22N6/c1-15-7-9-17(10-8-15)22-19-23-18(16-5-3-2-4-6-16)24-20(25-19)26-13-11-21-12-14-26/h2-10,21H,11-14H2,1H3,(H,22,23,24,25)
InChIKeyWVIPDADJOWDLGN-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.00
Rot. Bonds4

About N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine

N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine (PubChem CID 25256950) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
PubChem CID25256950
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC NameN-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C20H22N6/c1-15-7-9-17(10-8-15)22-19-23-18(16-5-3-2-4-6-16)24-20(25-19)26-13-11-21-12-14-26/h2-10,21H,11-14H2,1H3,(H,22,23,24,25)
InChIKeyWVIPDADJOWDLGN-UHFFFAOYSA-N
XLogP3.00
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine (CID 25256950) is N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(-c3ccccc3)nc(N3CCNCC3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is WVIPDADJOWDLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-15-7-9-17(10-8-15)22-19-23-18(16-5-3-2-4-6-16)24-20(25-19)26-13-11-21-12-14-26/h2-10,21H,11-14H2,1H3,(H,22,23,24,25).
What are the key properties of N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine?
N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 346.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 25256950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).