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

C9H14N6O3 — CID 154415679

IUPAC2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCNc1nc(N)nc(N)n1
InChIInChI=1S/C9H14N6O3/c1-2-6(16)18-4-3-17-5-12-9-14-7(10)13-8(11)15-9/h2H,1,3-5H2,(H5,10,11,12,13,14,15)
InChIKeyOHHVKQMWFKUREU-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.85
Rot. Bonds7

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

2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate (PubChem CID 154415679) has the molecular formula C9H14N6O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate
PubChem CID154415679
Molecular FormulaC9H14N6O3
Molecular Weight254.25 g/mol
Exact Mass254.11
IUPAC Name2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCNc1nc(N)nc(N)n1
InChIInChI=1S/C9H14N6O3/c1-2-6(16)18-4-3-17-5-12-9-14-7(10)13-8(11)15-9/h2H,1,3-5H2,(H5,10,11,12,13,14,15)
InChIKeyOHHVKQMWFKUREU-UHFFFAOYSA-N
XLogP-0.85
TPSA138.27 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 67920116
N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide
CID 22235146
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
CID 59702805
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
2-[2-(2-trimethoxysilylethoxy)ethoxy]ethyl prop-2-enoate
CID 171586967
ethane-1,2-diol;prop-2-enoyl chloride;2-prop-2-enoyloxyethyl prop-2-enoate
CID 160715574
phosphono prop-2-enoate;1,3,5-triazine-2,4,6-triamine
CID 174636064

Frequently Asked Questions

What is the IUPAC name of 2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate (CID 154415679) is 2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCNc1nc(N)nc(N)n1.
What is the InChIKey of 2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate?
The InChIKey is OHHVKQMWFKUREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O3/c1-2-6(16)18-4-3-17-5-12-9-14-7(10)13-8(11)15-9/h2H,1,3-5H2,(H5,10,11,12,13,14,15).
What are the key properties of 2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate?
2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate has a molecular weight of 254.25 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methoxy]ethyl prop-2-enoate is sourced from PubChem (CID 154415679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).