2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one

C15H21N5O4 — CID 143018208

IUPAC2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one
SMILESC=CCn1c(=O)n(C2CCC(CO)O2)c2nc(N)nc(OCC)c21
InChIInChI=1S/C15H21N5O4/c1-3-7-19-11-12(17-14(16)18-13(11)23-4-2)20(15(19)22)10-6-5-9(8-21)24-10/h3,9-10,21H,1,4-8H2,2H3,(H2,16,17,18)
InChIKeyWAOWUBCQHWWRSS-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.43
Rot. Bonds6

About 2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one

2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one (PubChem CID 143018208) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one.

Molecular Properties

Compound Name2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one
PubChem CID143018208
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one
SMILESC=CCn1c(=O)n(C2CCC(CO)O2)c2nc(N)nc(OCC)c21
InChIInChI=1S/C15H21N5O4/c1-3-7-19-11-12(17-14(16)18-13(11)23-4-2)20(15(19)22)10-6-5-9(8-21)24-10/h3,9-10,21H,1,4-8H2,2H3,(H2,16,17,18)
InChIKeyWAOWUBCQHWWRSS-UHFFFAOYSA-N
XLogP0.43
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one 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

N-[[2-amino-9-[(2R,4R,5R)-5-ethyl-4-methyl-3-triethylsilyloxyoxolan-2-yl]-8-oxo-7-prop-2-enylpurin-6-yl]oxymethyl]-N-methylacetamide
CID 58076094
2-amino-9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one
CID 153283050
8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136663246
5-amino-3-(5-ethyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 143615324
[(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate
CID 70667580
[5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol
CID 137401197
2-amino-9-[(1R,2R,4R,5R)-1,5-dihydroxy-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]-7-prop-2-enyl-1H-purine-6,8-dione
CID 136609073
[(2R,4R,5R)-2-(2-amino-6-chloro-8-oxo-7-prop-2-enylpurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enyl-1H-purine-6,8-dione;[(2R,4R,5R)-2-(2-amino-6,8-dioxo-7-prop-2-enyl-1H-purin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;[(2R,4R,5R)-2-(2-amino-8-oxo-7-prop-2-enylpurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate
CID 162255000
(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843
2-amino-9-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-7-prop-2-enylpurin-8-one
CID 153283042
9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 70367080

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one?
The IUPAC name of 2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one (CID 143018208) is 2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one.
What is the SMILES notation for 2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one?
The canonical SMILES for 2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one is C=CCn1c(=O)n(C2CCC(CO)O2)c2nc(N)nc(OCC)c21.
What is the InChIKey of 2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one?
The InChIKey is WAOWUBCQHWWRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-3-7-19-11-12(17-14(16)18-13(11)23-4-2)20(15(19)22)10-6-5-9(8-21)24-10/h3,9-10,21H,1,4-8H2,2H3,(H2,16,17,18).
What are the key properties of 2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one?
2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one has a molecular weight of 335.36 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-9-[5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one is sourced from PubChem (CID 143018208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).