(2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile

C14H20N6O4 — CID 70914129

IUPAC(2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile
SMILESCOc1nc(N)nc2c1ncn2[C@H](O[C@@H](C)CO)[C@](C)(C#N)CO
InChIInChI=1S/C14H20N6O4/c1-8(4-21)24-12(14(2,5-15)6-22)20-7-17-9-10(20)18-13(16)19-11(9)23-3/h7-8,12,21-22H,4,6H2,1-3H3,(H2,16,18,19)/t8-,12+,14+/m0/s1
InChIKeyCUUXEPGYSPUQQB-REAQECSSSA-N
MW336.35 g/mol
LogP-0.16
Rot. Bonds7

About (2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile

(2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile (PubChem CID 70914129) has the molecular formula C14H20N6O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile.

Molecular Properties

Compound Name(2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile
PubChem CID70914129
Molecular FormulaC14H20N6O4
Molecular Weight336.35 g/mol
Exact Mass336.15
IUPAC Name(2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile
SMILESCOc1nc(N)nc2c1ncn2[C@H](O[C@@H](C)CO)[C@](C)(C#N)CO
InChIInChI=1S/C14H20N6O4/c1-8(4-21)24-12(14(2,5-15)6-22)20-7-17-9-10(20)18-13(16)19-11(9)23-3/h7-8,12,21-22H,4,6H2,1-3H3,(H2,16,18,19)/t8-,12+,14+/m0/s1
InChIKeyCUUXEPGYSPUQQB-REAQECSSSA-N
XLogP-0.16
TPSA152.33 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride
CID 3081836
(2R,3R,4R)-4-(2-amino-6-ethoxypurin-9-yl)-2-(aminomethyl)-4-fluoro-2-methoxybutane-1,3-diol
CID 144766941
4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one
CID 71163044
(2R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59824768
2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)thiolane-3,4-diol
CID 18968724
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 10611561
(2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol
CID 168757086
ethyl 2-[[[(2R)-2-[1-(2-amino-6-methoxypurin-9-yl)ethoxy]-4-fluoro-3-hydroxyhex-5-ynoxy]-[(2-ethoxy-2-oxoethyl)amino]phosphoryl]amino]acetate
CID 88897611
propan-2-yl (2S)-2-[[2-[(1R,2R)-1-(2-amino-6-methoxypurin-9-yl)-2,3-dihydroxy-2-methylpropoxy]ethoxy-[(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]phosphoryl]amino]propanoate
CID 90382841
6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine
CID 15223646
[5-(2-amino-6-methoxypurin-9-yl)-5-ethynyloxolan-2-yl]methoxy-bis(2,2-dimethylpropanoyloxymethoxy)-hydroxyphosphanium
CID 164882129
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile?
The IUPAC name of (2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile (CID 70914129) is (2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile.
What is the SMILES notation for (2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile?
The canonical SMILES for (2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile is COc1nc(N)nc2c1ncn2[C@H](O[C@@H](C)CO)[C@](C)(C#N)CO.
What is the InChIKey of (2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile?
The InChIKey is CUUXEPGYSPUQQB-REAQECSSSA-N. The full InChI is InChI=1S/C14H20N6O4/c1-8(4-21)24-12(14(2,5-15)6-22)20-7-17-9-10(20)18-13(16)19-11(9)23-3/h7-8,12,21-22H,4,6H2,1-3H3,(H2,16,18,19)/t8-,12+,14+/m0/s1.
What are the key properties of (2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile?
(2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile has a molecular weight of 336.35 g/mol, XLogP of -0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)-3-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropanenitrile is sourced from PubChem (CID 70914129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).