2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate

C9H15N5O2 — CID 141031487

IUPAC2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(C)=NC(N)=NC1N
InChIInChI=1S/C9H15N5O2/c1-3-7(15)16-5-4-14-6(2)12-8(10)13-9(14)11/h3,9H,1,4-5,11H2,2H3,(H2,10,13)
InChIKeyYETBJDFWTUNESH-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.99
Rot. Bonds4

About 2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate

2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate (PubChem CID 141031487) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate
PubChem CID141031487
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(C)=NC(N)=NC1N
InChIInChI=1S/C9H15N5O2/c1-3-7(15)16-5-4-14-6(2)12-8(10)13-9(14)11/h3,9H,1,4-5,11H2,2H3,(H2,10,13)
InChIKeyYETBJDFWTUNESH-UHFFFAOYSA-N
XLogP-0.99
TPSA106.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate
CID 121375125
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate
CID 21325303
3-[tris(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
CID 140784915
2-[3-(3,4-dioxopentyl)-2,4,6-trioxo-5-(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
CID 123927081
2-[diacetyloxy(methyl)silyl]ethyl prop-2-enoate
CID 154136555
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
ethenamine;ethyl prop-2-enoate
CID 22022699
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
ethyl prop-2-enoate;sulfane
CID 157093783

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate (CID 141031487) is 2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate is C=CC(=O)OCCN1C(C)=NC(N)=NC1N.
What is the InChIKey of 2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate?
The InChIKey is YETBJDFWTUNESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-3-7(15)16-5-4-14-6(2)12-8(10)13-9(14)11/h3,9H,1,4-5,11H2,2H3,(H2,10,13).
What are the key properties of 2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate?
2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate has a molecular weight of 225.25 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate is sourced from PubChem (CID 141031487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).