N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide

C10H11N5O2 — CID 20703019

IUPACN-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOc1ncnc2nc[nH]c12
InChIInChI=1S/C10H11N5O2/c1-2-7(16)11-3-4-17-10-8-9(13-5-12-8)14-6-15-10/h2,5-6H,1,3-4H2,(H,11,16)(H,12,13,14,15)
InChIKeyYXEDNZCLNRVKFY-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.03
Rot. Bonds5

About N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide

N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide (PubChem CID 20703019) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide
PubChem CID20703019
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOc1ncnc2nc[nH]c12
InChIInChI=1S/C10H11N5O2/c1-2-7(16)11-3-4-17-10-8-9(13-5-12-8)14-6-15-10/h2,5-6H,1,3-4H2,(H,11,16)(H,12,13,14,15)
InChIKeyYXEDNZCLNRVKFY-UHFFFAOYSA-N
XLogP0.03
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide 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

6-prop-2-enoxy-7H-purine
CID 3816971
2-(7H-purin-6-yloxy)acetic acid
CID 114335218
7H-purin-6-yl 2-aminoacetate
CID 54229916
2-(7H-purin-6-ylamino)ethyl carbamate
CID 83205529
(2E)-2-ethenyl-N-(7H-purin-6-yl)penta-2,4-dienamide
CID 145321450
N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide
CID 154956779
7H-purin-6-yl 7H-purine-8-carboxylate
CID 70427194
N-[2-[8-chloro-3-[1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxyethyl]acetamide
CID 68751254
1-(3-chloropropyl)-3-(7H-purin-6-yl)urea
CID 71487244
N-methyl-2-(7H-purin-6-yloxy)propan-1-amine
CID 62348916
6-[(2S)-butan-2-yl]oxy-7H-purine
CID 11819897
ethyl (Z)-3-amino-2-(7H-purin-6-yl)prop-2-enoate
CID 13486110

Frequently Asked Questions

What is the IUPAC name of N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide (CID 20703019) is N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide is C=CC(=O)NCCOc1ncnc2nc[nH]c12.
What is the InChIKey of N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide?
The InChIKey is YXEDNZCLNRVKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-2-7(16)11-3-4-17-10-8-9(13-5-12-8)14-6-15-10/h2,5-6H,1,3-4H2,(H,11,16)(H,12,13,14,15).
What are the key properties of N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide?
N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide has a molecular weight of 233.23 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide is sourced from PubChem (CID 20703019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).