2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol

C16H21N7O3 — CID 20644306

IUPAC2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol
SMILESCc1nn(C)c(-c2nc(N)c3ncn(C4OC(C)C(O)C4O)c3n2)c1C
InChIInChI=1S/C16H21N7O3/c1-6-7(2)21-22(4)10(6)14-19-13(17)9-15(20-14)23(5-18-9)16-12(25)11(24)8(3)26-16/h5,8,11-12,16,24-25H,1-4H3,(H2,17,19,20)
InChIKeyAOSOFWYGZPXOJR-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.06
Rot. Bonds2

About 2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol

2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol (PubChem CID 20644306) has the molecular formula C16H21N7O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol
PubChem CID20644306
Molecular FormulaC16H21N7O3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC Name2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol
SMILESCc1nn(C)c(-c2nc(N)c3ncn(C4OC(C)C(O)C4O)c3n2)c1C
InChIInChI=1S/C16H21N7O3/c1-6-7(2)21-22(4)10(6)14-19-13(17)9-15(20-14)23(5-18-9)16-12(25)11(24)8(3)26-16/h5,8,11-12,16,24-25H,1-4H3,(H2,17,19,20)
InChIKeyAOSOFWYGZPXOJR-UHFFFAOYSA-N
XLogP0.06
TPSA137.13 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 87672546
(3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 134235464
(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 10039594
(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
CID 676784
(2R,3R,4R,5R,6S)-2-(6-aminopurin-9-yl)-6-methyloxane-3,4,5-triol
CID 54068544
(2R,3R,4S,5R)-2-[6-amino-2-(4-methylcyclohexyl)oxypurin-9-yl]-5-methyloxolane-3,4-diol
CID 56670160
(2R,3R,4S,5R)-2-[6-amino-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]purin-9-yl]-5-methyloxolane-3,4-diol
CID 57393394
6-amino-9-[(3R,4S)-3,4-dihydroxy-5-methyloxolan-2-yl]-1H-purine-2-thione
CID 142449233
(2R,3R,4S,5S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4,5-triol
CID 46181794
(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-ethyloxolane-3,4-diol
CID 134240596
methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol
CID 160881983
(2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol
CID 160993196

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol?
The IUPAC name of 2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol (CID 20644306) is 2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for 2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol?
The canonical SMILES for 2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol is Cc1nn(C)c(-c2nc(N)c3ncn(C4OC(C)C(O)C4O)c3n2)c1C.
What is the InChIKey of 2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol?
The InChIKey is AOSOFWYGZPXOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O3/c1-6-7(2)21-22(4)10(6)14-19-13(17)9-15(20-14)23(5-18-9)16-12(25)11(24)8(3)26-16/h5,8,11-12,16,24-25H,1-4H3,(H2,17,19,20).
What are the key properties of 2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol?
2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol has a molecular weight of 359.39 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-2-(2,4,5-trimethylpyrazol-3-yl)purin-9-yl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 20644306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).