(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol

C11H15N5O3 — CID 143600600

IUPAC(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
SMILESCc1nc(N)c2ncn(C3OC(CO)C[C@H]3O)c2n1
InChIInChI=1S/C11H15N5O3/c1-5-14-9(12)8-10(15-5)16(4-13-8)11-7(18)2-6(3-17)19-11/h4,6-7,11,17-18H,2-3H2,1H3,(H2,12,14,15)/t6?,7-,11?/m1/s1
InChIKeyHMKUGRSCABEEBI-UXEXPGAESA-N
MW265.27 g/mol
LogP-0.64
Rot. Bonds2

About (3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol

(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol (PubChem CID 143600600) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is (3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
PubChem CID143600600
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
SMILESCc1nc(N)c2ncn(C3OC(CO)C[C@H]3O)c2n1
InChIInChI=1S/C11H15N5O3/c1-5-14-9(12)8-10(15-5)16(4-13-8)11-7(18)2-6(3-17)19-11/h4,6-7,11,17-18H,2-3H2,1H3,(H2,12,14,15)/t6?,7-,11?/m1/s1
InChIKeyHMKUGRSCABEEBI-UXEXPGAESA-N
XLogP-0.64
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
(2R,3R,5S)-2-[6-amino-2-(chloromethoxy)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 67669536
(2R,5S)-2-[6-amino-2-[(E)-2-bromoethenyl]purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 171428870
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
CID 143654262
(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843
(2R,3R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 14853623
(2R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 59503907
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
(2R,3R,4S,5R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphoric acid
CID 172852038
(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 162472561
(2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 512705

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol (CID 143600600) is (3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol is Cc1nc(N)c2ncn(C3OC(CO)C[C@H]3O)c2n1.
What is the InChIKey of (3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol?
The InChIKey is HMKUGRSCABEEBI-UXEXPGAESA-N. The full InChI is InChI=1S/C11H15N5O3/c1-5-14-9(12)8-10(15-5)16(4-13-8)11-7(18)2-6(3-17)19-11/h4,6-7,11,17-18H,2-3H2,1H3,(H2,12,14,15)/t6?,7-,11?/m1/s1.
What are the key properties of (3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol?
(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol has a molecular weight of 265.27 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 143600600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).