[(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate

C11H14N6O4 — CID 118700032

IUPAC[(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1OCC(n2cnc3c(N)nc(N)nc32)O1
InChIInChI=1S/C11H14N6O4/c1-5(18)19-3-7-20-2-6(21-7)17-4-14-8-9(12)15-11(13)16-10(8)17/h4,6-7H,2-3H2,1H3,(H4,12,13,15,16)/t6?,7-/m1/s1
InChIKeyZAJBAIIRIUOHJT-COBSHVIPSA-N
MW294.27 g/mol
LogP-0.57
Rot. Bonds3

About [(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate

[(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate (PubChem CID 118700032) has the molecular formula C11H14N6O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is [(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate
PubChem CID118700032
Molecular FormulaC11H14N6O4
Molecular Weight294.27 g/mol
Exact Mass294.11
IUPAC Name[(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1OCC(n2cnc3c(N)nc(N)nc32)O1
InChIInChI=1S/C11H14N6O4/c1-5(18)19-3-7-20-2-6(21-7)17-4-14-8-9(12)15-11(13)16-10(8)17/h4,6-7H,2-3H2,1H3,(H4,12,13,15,16)/t6?,7-/m1/s1
InChIKeyZAJBAIIRIUOHJT-COBSHVIPSA-N
XLogP-0.57
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate 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

[(2S,4S)-4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate
CID 10022365
[(2S,4R)-4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate
CID 10068086
CID 66741662
CID 66741662
[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145907
[(2R,3S,5S)-3-acetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate
CID 87601224
1-[[2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purin-6-yl]amino]cyclopropane-1-carboxylic acid
CID 22986588
[2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purin-6-yl]-cyclopropylcarbamic acid
CID 70145053
(3R,5S,7R)-7-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940460
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate
CID 10788628
ethyl (2S)-2-[[[(2R,4R)-4-(2-amino-6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 57345285
(2R,5R)-2-(2,6-diaminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
CID 69050482
(2R,5R)-2-(2,6-diaminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 67642663

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate?
The IUPAC name of [(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate (CID 118700032) is [(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate is CC(=O)OC[C@@H]1OCC(n2cnc3c(N)nc(N)nc32)O1.
What is the InChIKey of [(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate?
The InChIKey is ZAJBAIIRIUOHJT-COBSHVIPSA-N. The full InChI is InChI=1S/C11H14N6O4/c1-5(18)19-3-7-20-2-6(21-7)17-4-14-8-9(12)15-11(13)16-10(8)17/h4,6-7H,2-3H2,1H3,(H4,12,13,15,16)/t6?,7-/m1/s1.
What are the key properties of [(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate?
[(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate has a molecular weight of 294.27 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate is sourced from PubChem (CID 118700032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).