(4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium

C15H22N7O+ — CID 9043228

About (4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium

(4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9043228) has the molecular formula C15H22N7O+ and a molecular weight of 316.39 g/mol. Its IUPAC name is (4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

• Compound Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
• PubChem CID: 9043228
• Molecular Formula: C15H22N7O+
• Molecular Weight: 316.39 g/mol
• Exact Mass: 316.19
• IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
• SMILES: Cc1cccc(NC(=O)C[NH+](C)Cc2nc(N)nc(N)n2)c1C
• InChI: InChI=1S/C15H21N7O/c1-9-5-4-6-11(10(9)2)18-13(23)8-22(3)7-12-19-14(16)21-15(17)20-12/h4-6H,7-8H2,1-3H3,(H,18,23)(H4,16,17,19,20,21)/p+1
• InChIKey: ASJBKRQERCFMIQ-UHFFFAOYSA-O
• XLogP: -0.69
• TPSA: 124.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.39
LogP ≤ 5	-0.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?

The IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium (CID 9043228) is (4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium.

What is the SMILES notation for (4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?

The canonical SMILES for (4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium is Cc1cccc(NC(=O)C[NH+](C)Cc2nc(N)nc(N)n2)c1C.

What is the InChIKey of (4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?

The InChIKey is ASJBKRQERCFMIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N7O/c1-9-5-4-6-11(10(9)2)18-13(23)8-22(3)7-12-19-14(16)21-15(17)20-12/h4-6H,7-8H2,1-3H3,(H,18,23)(H4,16,17,19,20,21)/p+1.

What are the key properties of (4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?

(4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 316.39 g/mol, XLogP of -0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9043228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).