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

C15H22N6O4 — CID 23463428

IUPAC1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CN(CC(C)OC(=O)C=C)c1nc(N)nc(N)n1
InChIInChI=1S/C15H22N6O4/c1-5-11(22)24-9(3)7-21(8-10(4)25-12(23)6-2)15-19-13(16)18-14(17)20-15/h5-6,9-10H,1-2,7-8H2,3-4H3,(H4,16,17,18,19,20)
InChIKeyBLPBRXKNFIKJKV-UHFFFAOYSA-N
MW350.38 g/mol
LogP0.08
Rot. Bonds9

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

1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate (PubChem CID 23463428) has the molecular formula C15H22N6O4 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate
PubChem CID23463428
Molecular FormulaC15H22N6O4
Molecular Weight350.38 g/mol
Exact Mass350.17
IUPAC Name1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CN(CC(C)OC(=O)C=C)c1nc(N)nc(N)n1
InChIInChI=1S/C15H22N6O4/c1-5-11(22)24-9(3)7-21(8-10(4)25-12(23)6-2)15-19-13(16)18-14(17)20-15/h5-6,9-10H,1-2,7-8H2,3-4H3,(H4,16,17,18,19,20)
InChIKeyBLPBRXKNFIKJKV-UHFFFAOYSA-N
XLogP0.08
TPSA146.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,6-Diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 23463405
4-[(4,6-Diamino-1,3,5-triazin-2-yl)-(4-prop-2-enoyloxybutyl)amino]butyl prop-2-enoate
CID 23463415
1-[[4,6-Bis[bis(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate
CID 23463420
Hexakis(2-acryloyloxyethyl)melamine
CID 23463424
1-[[4,6-Bis[bis[2-(2-methylprop-2-enoyloxy)propyl]amino]-1,3,5-triazin-2-yl]-[2-(2-methylprop-2-enoyloxy)propyl]amino]propan-2-yl 2-methylprop-2-enoate
CID 23463426
1-[[4-Amino-6-[bis[2-(2-methylprop-2-enoyloxy)propyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-yl 2-methylprop-2-enoate
CID 23463431
1-[(4,6-Diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)propyl]amino]propan-2-yl 2-methylprop-2-enoate
CID 23463433
1-[[4,6-Bis[butyl-[2-(2-methylprop-2-enoyloxy)propyl]amino]-1,3,5-triazin-2-yl]-butylamino]propan-2-yl 2-methylprop-2-enoate
CID 53858461
1-[Ethyl-[4-[ethyl(2-prop-2-enoyloxyethyl)amino]-6-[ethyl(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]amino]butan-2-yl 2-methylprop-2-enoate
CID 53905038
1-[[4,6-Bis[ethyl(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-butylamino]propan-2-yl 2-methylprop-2-enoate
CID 54034103
1-[[4,6-Bis[bis(2-prop-2-enoyloxybutyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxybutyl)amino]butan-2-yl 2-methylprop-2-enoate
CID 54169748
1-[[4,6-Bis[2-(2-methylprop-2-enoyloxy)propyl-(2-prop-2-enoyloxypropyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxypropyl)amino]propan-2-yl 2-methylprop-2-enoate
CID 54252920

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate?
The IUPAC name of 1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate (CID 23463428) is 1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate?
The canonical SMILES for 1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate is C=CC(=O)OC(C)CN(CC(C)OC(=O)C=C)c1nc(N)nc(N)n1.
What is the InChIKey of 1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate?
The InChIKey is BLPBRXKNFIKJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O4/c1-5-11(22)24-9(3)7-21(8-10(4)25-12(23)6-2)15-19-13(16)18-14(17)20-15/h5-6,9-10H,1-2,7-8H2,3-4H3,(H4,16,17,18,19,20).
What are the key properties of 1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate?
1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-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 1-[(4,6-diamino-1,3,5-triazin-2-yl)-(2-prop-2-enoyloxypropyl)amino]propan-2-yl prop-2-enoate is sourced from PubChem (CID 23463428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).