2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol

C13H19N5O4 — CID 123415250

IUPAC2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol
SMILESCOc1nc(N)nc2c1nc(C)n2C1OC(CO)CC1(C)O
InChIInChI=1S/C13H19N5O4/c1-6-15-8-9(16-12(14)17-10(8)21-3)18(6)11-13(2,20)4-7(5-19)22-11/h7,11,19-20H,4-5H2,1-3H3,(H2,14,16,17)
InChIKeySLSISVFIHPPOIK-UHFFFAOYSA-N
MW309.33 g/mol
LogP-0.24
Rot. Bonds3

About 2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol

2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol (PubChem CID 123415250) has the molecular formula C13H19N5O4 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol.

Molecular Properties

Compound Name2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol
PubChem CID123415250
Molecular FormulaC13H19N5O4
Molecular Weight309.33 g/mol
Exact Mass309.14
IUPAC Name2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol
SMILESCOc1nc(N)nc2c1nc(C)n2C1OC(CO)CC1(C)O
InChIInChI=1S/C13H19N5O4/c1-6-15-8-9(16-12(14)17-10(8)21-3)18(6)11-13(2,20)4-7(5-19)22-11/h7,11,19-20H,4-5H2,1-3H3,(H2,14,16,17)
InChIKeySLSISVFIHPPOIK-UHFFFAOYSA-N
XLogP-0.24
TPSA128.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

propyl 2-[[[5-(2-amino-6-methoxy-8-methylpurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 123261055
2,2-dimethylpropyl 2-[[[5-(2-amino-6-methoxy-8-methylpurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 123534487
(2R,3S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58455338
(2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 139619795
(3R,4R,5R)-2-[2-amino-6-(benzylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(3R,5S)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol;(3R,4R,5R)-2-[2-amino-6-(2-phenylethylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-5-(hydroxymethyl)-2-[6-methoxy-2-[(4-methylphenyl)methylamino]purin-9-yl]-3-methyloxolane-3,4-diol
CID 157149017
(3R,4R,5R)-5-(hydroxymethyl)-2-(8-iodo-6-methoxy-2-methylpurin-9-yl)-3-methyloxolane-3,4-diol
CID 90163784
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol
CID 57250206
(2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol
CID 137381020
[(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol
CID 144554862
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(2R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-dibromo-2-(hydroxymethyl)oxolan-3-ol
CID 154011880
[(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol
CID 66696300

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol?
The IUPAC name of 2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol (CID 123415250) is 2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol.
What is the SMILES notation for 2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol?
The canonical SMILES for 2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol is COc1nc(N)nc2c1nc(C)n2C1OC(CO)CC1(C)O.
What is the InChIKey of 2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol?
The InChIKey is SLSISVFIHPPOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O4/c1-6-15-8-9(16-12(14)17-10(8)21-3)18(6)11-13(2,20)4-7(5-19)22-11/h7,11,19-20H,4-5H2,1-3H3,(H2,14,16,17).
What are the key properties of 2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol?
2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol has a molecular weight of 309.33 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methoxy-8-methylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol is sourced from PubChem (CID 123415250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).