(2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol

C13H19N5O3 — CID 160993196

IUPAC(2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol
SMILESCc1nc(N)c2ncn([C@@H]3O[C@H](C(C)C)[C@H](O)C3O)c2n1
InChIInChI=1S/C13H19N5O3/c1-5(2)10-8(19)9(20)13(21-10)18-4-15-7-11(14)16-6(3)17-12(7)18/h4-5,8-10,13,19-20H,1-3H3,(H2,14,16,17)/t8-,9?,10-,13-/m1/s1
InChIKeyTUXGTSGIRKFYFI-JPVQNKNJSA-N
MW293.33 g/mol
LogP-0.01
Rot. Bonds2

About (2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol

(2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol (PubChem CID 160993196) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is (2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol
PubChem CID160993196
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name(2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol
SMILESCc1nc(N)c2ncn([C@@H]3O[C@H](C(C)C)[C@H](O)C3O)c2n1
InChIInChI=1S/C13H19N5O3/c1-5(2)10-8(19)9(20)13(21-10)18-4-15-7-11(14)16-6(3)17-12(7)18/h4-5,8-10,13,19-20H,1-3H3,(H2,14,16,17)/t8-,9?,10-,13-/m1/s1
InChIKeyTUXGTSGIRKFYFI-JPVQNKNJSA-N
XLogP-0.01
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

1-[(2S,3S,4R)-5-(6-amino-2-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethanone
CID 59760575
(2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphoric acid
CID 172852038
(2R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 59503907
(2R,3R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 14853623
(2S,3S,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 58085636
(2R,3R,4R,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 10471645
[(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-3-hydroxy-4-sulfanyloxolan-2-yl]methyl dihydrogen phosphate
CID 87391881
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(1S)-1-hydroxyethyl]oxolane-3,4-diol
CID 15612716
(2R)-2-[[(2R,3R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy]-2-phosphonoacetic acid
CID 135194289
(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 143600600
[(2R,3R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl (2R,3R)-2-amino-3-methylpentanoate
CID 170271574
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(1-sulfanylpropyl)oxolane-3,4-diol
CID 54190957

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol?
The IUPAC name of (2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol (CID 160993196) is (2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol.
What is the SMILES notation for (2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol?
The canonical SMILES for (2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol is Cc1nc(N)c2ncn([C@@H]3O[C@H](C(C)C)[C@H](O)C3O)c2n1.
What is the InChIKey of (2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol?
The InChIKey is TUXGTSGIRKFYFI-JPVQNKNJSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-5(2)10-8(19)9(20)13(21-10)18-4-15-7-11(14)16-6(3)17-12(7)18/h4-5,8-10,13,19-20H,1-3H3,(H2,14,16,17)/t8-,9?,10-,13-/m1/s1.
What are the key properties of (2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol?
(2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol has a molecular weight of 293.33 g/mol, XLogP of -0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-propan-2-yloxolane-3,4-diol is sourced from PubChem (CID 160993196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).