2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate

C15H22N6O4 — CID 23463405

About 2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate

2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 23463405) has the molecular formula C15H22N6O4 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
• PubChem CID: 23463405
• Molecular Formula: C15H22N6O4
• Molecular Weight: 350.38 g/mol
• Exact Mass: 350.17
• IUPAC Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)c1nc(N)nc(N)n1
• InChI: InChI=1S/C15H22N6O4/c1-9(2)11(22)24-7-5-21(6-8-25-12(23)10(3)4)15-19-13(16)18-14(17)20-15/h1,3,5-8H2,2,4H3,(H4,16,17,18,19,20)
• InChIKey: SUYWUNYTABUASG-UHFFFAOYSA-N
• XLogP: 0.08
• TPSA: 146.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.38
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate (CID 23463405) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)c1nc(N)nc(N)n1.

What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate?

The InChIKey is SUYWUNYTABUASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O4/c1-9(2)11(22)24-7-5-21(6-8-25-12(23)10(3)4)15-19-13(16)18-14(17)20-15/h1,3,5-8H2,2,4H3,(H4,16,17,18,19,20).

What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate?

2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 350.38 g/mol, XLogP of 0.08, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 23463405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).