9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine

C10H10FN5O — CID 57048358

IUPAC9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine
SMILESC=C1O[C@@H](n2cnc3c(N)ncnc32)CC1F
InChIInChI=1S/C10H10FN5O/c1-5-6(11)2-7(17-5)16-4-15-8-9(12)13-3-14-10(8)16/h3-4,6-7H,1-2H2,(H2,12,13,14)/t6?,7-/m1/s1
InChIKeyYMNKORDCGLOVEH-COBSHVIPSA-N
MW235.22 g/mol
LogP1.18
Rot. Bonds1

About 9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine

9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine (PubChem CID 57048358) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is 9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine
PubChem CID57048358
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC Name9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine
SMILESC=C1O[C@@H](n2cnc3c(N)ncnc32)CC1F
InChIInChI=1S/C10H10FN5O/c1-5-6(11)2-7(17-5)16-4-15-8-9(12)13-3-14-10(8)16/h3-4,6-7H,1-2H2,(H2,12,13,14)/t6?,7-/m1/s1
InChIKeyYMNKORDCGLOVEH-COBSHVIPSA-N
XLogP1.18
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine 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

[3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol
CID 20846249
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine
CID 58159383
[3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol
CID 19775067
(2R,3S,4S,6R)-6-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 21139829
(2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol
CID 11737444
9-[(4aR,7aS)-2,2-dihydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-6-yl]purin-6-amine
CID 140503398
[5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol
CID 167504350
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304

Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine (CID 57048358) is 9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine is C=C1O[C@@H](n2cnc3c(N)ncnc32)CC1F.
What is the InChIKey of 9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine?
The InChIKey is YMNKORDCGLOVEH-COBSHVIPSA-N. The full InChI is InChI=1S/C10H10FN5O/c1-5-6(11)2-7(17-5)16-4-15-8-9(12)13-3-14-10(8)16/h3-4,6-7H,1-2H2,(H2,12,13,14)/t6?,7-/m1/s1.
What are the key properties of 9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine?
9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine has a molecular weight of 235.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]purin-6-amine is sourced from PubChem (CID 57048358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).