2-[ethyl-[4-[ethyl(2-prop-2-enoyloxyethyl)amino]-6-[ethyl(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate

C25H38N6O6 — CID 54288938

About 2-[ethyl-[4-[ethyl(2-prop-2-enoyloxyethyl)amino]-6-[ethyl(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate

2-[ethyl-[4-[ethyl(2-prop-2-enoyloxyethyl)amino]-6-[ethyl(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate (PubChem CID 54288938) has the molecular formula C25H38N6O6 and a molecular weight of 518.62 g/mol. Its IUPAC name is 2-[ethyl-[4-[ethyl(2-prop-2-enoyloxyethyl)amino]-6-[ethyl(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate.

Molecular Properties

• Compound Name: 2-[ethyl-[4-[ethyl(2-prop-2-enoyloxyethyl)amino]-6-[ethyl(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate
• PubChem CID: 54288938
• Molecular Formula: C25H38N6O6
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.29
• IUPAC Name: 2-[ethyl-[4-[ethyl(2-prop-2-enoyloxyethyl)amino]-6-[ethyl(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate
• SMILES: C=CC(=O)OCCN(CC)c1nc(N(CC)CCOC(=O)C=C)nc(N(CC)CC(C)OC(=O)C=C)n1
• InChI: InChI=1S/C25H38N6O6/c1-8-20(32)35-16-14-29(11-4)23-26-24(30(12-5)15-17-36-21(33)9-2)28-25(27-23)31(13-6)18-19(7)37-22(34)10-3/h8-10,19H,1-3,11-18H2,4-7H3
• InChIKey: RWDBICHEOJEVJU-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 127.29 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[ethyl-[4-[ethyl(2-prop-2-enoyloxyethyl)amino]-6-[ethyl(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate (CID 54288938) is 2-[ethyl-[4-[ethyl(2-prop-2-enoyloxyethyl)amino]-6-[ethyl(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate.

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

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

What is the InChIKey of 2-[ethyl-[4-[ethyl(2-prop-2-enoyloxyethyl)amino]-6-[ethyl(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate?

The InChIKey is RWDBICHEOJEVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O6/c1-8-20(32)35-16-14-29(11-4)23-26-24(30(12-5)15-17-36-21(33)9-2)28-25(27-23)31(13-6)18-19(7)37-22(34)10-3/h8-10,19H,1-3,11-18H2,4-7H3.

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

2-[ethyl-[4-[ethyl(2-prop-2-enoyloxyethyl)amino]-6-[ethyl(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate has a molecular weight of 518.62 g/mol, XLogP of 1.93, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[4-[ethyl(2-prop-2-enoyloxyethyl)amino]-6-[ethyl(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate is sourced from PubChem (CID 54288938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).