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

C18H24N6 — CID 7192910

IUPACN-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C18H24N6/c1-14-6-8-15(9-7-14)19-16-20-17(23-10-2-3-11-23)22-18(21-16)24-12-4-5-13-24/h6-9H,2-5,10-13H2,1H3,(H,19,20,21,22)
InChIKeyPLZKGTTYIJKABA-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.12
Rot. Bonds4

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

N-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 7192910) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID7192910
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC NameN-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C18H24N6/c1-14-6-8-15(9-7-14)19-16-20-17(23-10-2-3-11-23)22-18(21-16)24-12-4-5-13-24/h6-9H,2-5,10-13H2,1H3,(H,19,20,21,22)
InChIKeyPLZKGTTYIJKABA-UHFFFAOYSA-N
XLogP3.12
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 7192910) is N-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PLZKGTTYIJKABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-14-6-8-15(9-7-14)19-16-20-17(23-10-2-3-11-23)22-18(21-16)24-12-4-5-13-24/h6-9H,2-5,10-13H2,1H3,(H,19,20,21,22).
What are the key properties of N-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 324.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 7192910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).