9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine

C12H17N5O2 — CID 144592425

IUPAC9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine
SMILESCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C)CC1C
InChIInChI=1S/C12H17N5O2/c1-6-4-7(2)19-11(6)17-5-14-8-9(17)15-12(13)16-10(8)18-3/h5-7,11H,4H2,1-3H3,(H2,13,15,16)/t6?,7-,11-/m1/s1
InChIKeyYOQTXKHKEQIXTI-IAOKNKMBSA-N
MW263.30 g/mol
LogP1.36
Rot. Bonds2

About 9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine

9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine (PubChem CID 144592425) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine.

Molecular Properties

Compound Name9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine
PubChem CID144592425
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine
SMILESCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C)CC1C
InChIInChI=1S/C12H17N5O2/c1-6-4-7(2)19-11(6)17-5-14-8-9(17)15-12(13)16-10(8)18-3/h5-7,11H,4H2,1-3H3,(H2,13,15,16)/t6?,7-,11-/m1/s1
InChIKeyYOQTXKHKEQIXTI-IAOKNKMBSA-N
XLogP1.36
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-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

9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine
CID 137401300
(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
CID 148902630
6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine
CID 15223646
(2R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59824768
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
6-(2-amino-6-methoxypurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
CID 123649206
9-[2-(cyclobutylamino)-7-methyl-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-methoxypurin-2-amine
CID 123622114
[5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium
CID 123760627
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 10611561
2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium
CID 123836908
9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]peroxy]-5-[[tert-butyl(dimethyl)silyl]peroxymethyl]oxolan-2-yl]-6-methoxypurin-2-amine
CID 102050539
(2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 139619795

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine?
The IUPAC name of 9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine (CID 144592425) is 9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine.
What is the SMILES notation for 9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine?
The canonical SMILES for 9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine is COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C)CC1C.
What is the InChIKey of 9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine?
The InChIKey is YOQTXKHKEQIXTI-IAOKNKMBSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-6-4-7(2)19-11(6)17-5-14-8-9(17)15-12(13)16-10(8)18-3/h5-7,11H,4H2,1-3H3,(H2,13,15,16)/t6?,7-,11-/m1/s1.
What are the key properties of 9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine?
9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine has a molecular weight of 263.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine is sourced from PubChem (CID 144592425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).