9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine

C13H19N5O3 — CID 137401300

IUPAC9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine
SMILESCCOC1CC(C)OC1n1cnc2c(OC)nc(N)nc21
InChIInChI=1S/C13H19N5O3/c1-4-20-8-5-7(2)21-12(8)18-6-15-9-10(18)16-13(14)17-11(9)19-3/h6-8,12H,4-5H2,1-3H3,(H2,14,16,17)
InChIKeyRZKISODSFBVBMT-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.13
Rot. Bonds4

About 9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine

9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine (PubChem CID 137401300) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine.

Molecular Properties

Compound Name9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine
PubChem CID137401300
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine
SMILESCCOC1CC(C)OC1n1cnc2c(OC)nc(N)nc21
InChIInChI=1S/C13H19N5O3/c1-4-20-8-5-7(2)21-12(8)18-6-15-9-10(18)16-13(14)17-11(9)19-3/h6-8,12H,4-5H2,1-3H3,(H2,14,16,17)
InChIKeyRZKISODSFBVBMT-UHFFFAOYSA-N
XLogP1.13
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine
CID 144592425
(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
CID 148902630
(2R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59824768
6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine
CID 15223646
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843
[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57116771
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 10611561
[5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium
CID 123760627
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
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

Frequently Asked Questions

What is the IUPAC name of 9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine?
The IUPAC name of 9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine (CID 137401300) is 9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine.
What is the SMILES notation for 9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine?
The canonical SMILES for 9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine is CCOC1CC(C)OC1n1cnc2c(OC)nc(N)nc21.
What is the InChIKey of 9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine?
The InChIKey is RZKISODSFBVBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-4-20-8-5-7(2)21-12(8)18-6-15-9-10(18)16-13(14)17-11(9)19-3/h6-8,12H,4-5H2,1-3H3,(H2,14,16,17).
What are the key properties of 9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine?
9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine has a molecular weight of 293.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine is sourced from PubChem (CID 137401300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).