3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide

C19H27N7O — CID 122254297

About 3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide

3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide (PubChem CID 122254297) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
• PubChem CID: 122254297
• Molecular Formula: C19H27N7O
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.23
• IUPAC Name: 3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
• SMILES: CN(C)c1cccc(C(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)c1
• InChI: InChI=1S/C19H27N7O/c1-24(2)15-9-7-8-14(12-15)17(27)20-13-16-21-18(25(3)4)23-19(22-16)26-10-5-6-11-26/h7-9,12H,5-6,10-11,13H2,1-4H3,(H,20,27)
• InChIKey: BKECCQQWRJGIFB-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 77.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide?

The IUPAC name of 3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide (CID 122254297) is 3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide.

What is the SMILES notation for 3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide?

The canonical SMILES for 3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide is CN(C)c1cccc(C(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)c1.

What is the InChIKey of 3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide?

The InChIKey is BKECCQQWRJGIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-24(2)15-9-7-8-14(12-15)17(27)20-13-16-21-18(25(3)4)23-19(22-16)26-10-5-6-11-26/h7-9,12H,5-6,10-11,13H2,1-4H3,(H,20,27).

What are the key properties of 3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide?

3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide is sourced from PubChem (CID 122254297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).