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

C23H31ClN6 — CID 171851334

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

2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 171851334) has the molecular formula C23H31ClN6 and a molecular weight of 427.00 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

• Compound Name: 2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
• PubChem CID: 171851334
• Molecular Formula: C23H31ClN6
• Molecular Weight: 427.00 g/mol
• Exact Mass: 426.23
• IUPAC Name: 2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
• SMILES: Cc1cc(C)cc(N2C(N3CCCC3)=NC(N)=NC2Nc2ccc(C)c(C)c2)c1.Cl
• InChI: InChI=1S/C23H30N6.ClH/c1-15-11-16(2)13-20(12-15)29-22(25-19-8-7-17(3)18(4)14-19)26-21(24)27-23(29)28-9-5-6-10-28;/h7-8,11-14,22,25H,5-6,9-10H2,1-4H3,(H2,24,26);1H
• InChIKey: PTRYXAPFAFXMRN-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 69.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.00
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?

The IUPAC name of 2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride (CID 171851334) is 2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride.

What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?

The canonical SMILES for 2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride is Cc1cc(C)cc(N2C(N3CCCC3)=NC(N)=NC2Nc2ccc(C)c(C)c2)c1.Cl.

What is the InChIKey of 2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?

The InChIKey is PTRYXAPFAFXMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6.ClH/c1-15-11-16(2)13-20(12-15)29-22(25-19-8-7-17(3)18(4)14-19)26-21(24)27-23(29)28-9-5-6-10-28;/h7-8,11-14,22,25H,5-6,9-10H2,1-4H3,(H2,24,26);1H.

What are the key properties of 2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?

2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 427.00 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 171851334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).