2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine

C22H28N6 — CID 171851388

IUPAC2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(N2C(N3CCCC3)=NC(N)=NC2Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C22H28N6/c1-15-6-8-19(9-7-15)28-21(24-18-13-16(2)12-17(3)14-18)25-20(23)26-22(28)27-10-4-5-11-27/h6-9,12-14,21,24H,4-5,10-11H2,1-3H3,(H2,23,25)
InChIKeySQJWQCNNYZVRRF-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.59
Rot. Bonds3

About 2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine

2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine (PubChem CID 171851388) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
PubChem CID171851388
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(N2C(N3CCCC3)=NC(N)=NC2Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C22H28N6/c1-15-6-8-19(9-7-15)28-21(24-18-13-16(2)12-17(3)14-18)25-20(23)26-22(28)27-10-4-5-11-27/h6-9,12-14,21,24H,4-5,10-11H2,1-3H3,(H2,23,25)
InChIKeySQJWQCNNYZVRRF-UHFFFAOYSA-N
XLogP3.59
TPSA69.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine 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 2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine (CID 171851388) is 2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine is Cc1ccc(N2C(N3CCCC3)=NC(N)=NC2Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is SQJWQCNNYZVRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-15-6-8-19(9-7-15)28-21(24-18-13-16(2)12-17(3)14-18)25-20(23)26-22(28)27-10-4-5-11-27/h6-9,12-14,21,24H,4-5,10-11H2,1-3H3,(H2,23,25).
What are the key properties of 2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 376.51 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171851388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).