N-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C20H28N6 — CID 1119752

IUPACN-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1cccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C20H28N6/c1-16-9-8-10-17(15-16)21-18-22-19(25-11-4-2-5-12-25)24-20(23-18)26-13-6-3-7-14-26/h8-10,15H,2-7,11-14H2,1H3,(H,21,22,23,24)
InChIKeyZPHWBMFZZUNXAS-UHFFFAOYSA-N
MW352.49 g/mol
LogP3.90
Rot. Bonds4

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

N-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 1119752) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID1119752
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC NameN-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1cccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C20H28N6/c1-16-9-8-10-17(15-16)21-18-22-19(25-11-4-2-5-12-25)24-20(23-18)26-13-6-3-7-14-26/h8-10,15H,2-7,11-14H2,1H3,(H,21,22,23,24)
InChIKeyZPHWBMFZZUNXAS-UHFFFAOYSA-N
XLogP3.90
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 1119752) is N-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is Cc1cccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is ZPHWBMFZZUNXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-16-9-8-10-17(15-16)21-18-22-19(25-11-4-2-5-12-25)24-20(23-18)26-13-6-3-7-14-26/h8-10,15H,2-7,11-14H2,1H3,(H,21,22,23,24).
What are the key properties of N-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 352.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1119752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).