ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide

C24H42N6O2 — CID 145444547

IUPACethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide
SMILESCC.CC.CC[C@@H]1C[C@H](C)[C@H](n2cnc3c(N4CCCC4)nc(NC(=O)C(C)C)nc32)O1
InChIInChI=1S/C20H30N6O2.2C2H6/c1-5-14-10-13(4)19(28-14)26-11-21-15-16(25-8-6-7-9-25)22-20(23-17(15)26)24-18(27)12(2)3;2*1-2/h11-14,19H,5-10H2,1-4H3,(H,22,23,24,27);2*1-2H3/t13-,14+,19+;;/m0../s1
InChIKeyHUEIQBTUOMDCDK-USAGICSLSA-N
MW446.64 g/mol
LogP5.41
Rot. Bonds5

About ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide

ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide (PubChem CID 145444547) has the molecular formula C24H42N6O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Nameethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide
PubChem CID145444547
Molecular FormulaC24H42N6O2
Molecular Weight446.64 g/mol
Exact Mass446.34
IUPAC Nameethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide
SMILESCC.CC.CC[C@@H]1C[C@H](C)[C@H](n2cnc3c(N4CCCC4)nc(NC(=O)C(C)C)nc32)O1
InChIInChI=1S/C20H30N6O2.2C2H6/c1-5-14-10-13(4)19(28-14)26-11-21-15-16(25-8-6-7-9-25)22-20(23-17(15)26)24-18(27)12(2)3;2*1-2/h11-14,19H,5-10H2,1-4H3,(H,22,23,24,27);2*1-2H3/t13-,14+,19+;;/m0../s1
InChIKeyHUEIQBTUOMDCDK-USAGICSLSA-N
XLogP5.41
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide 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

[5-[2-amino-6-(azetidin-1-yl)purin-9-yl]-4-methyloxolan-2-yl]methyl ethyl hydrogen phosphate
CID 143911826
[(2R,3R,5R)-5-ethyl-2-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxymethanethioic S-acid
CID 161393454
9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine
CID 145444543
[5-[2-amino-6-(azetidin-1-yl)purin-9-yl]-4-methyloxolan-2-yl]methyl phenyl hydrogen phosphate
CID 143911841
[[6-ethoxy-9-[5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-2-yl]amino]thallium
CID 144654161
N-[6-[cyclopropyl(methyl)amino]-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl]purin-2-yl]-2-methylpropanamide
CID 134165948
N-[6-(cyclopropylamino)-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-2-yl]-2-methylpropanamide
CID 134165901
ethane;[5-[6-ethoxy-2-(propylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;fluoromethane
CID 144828838
N-[6-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-2-yl]-2-methylpropanamide
CID 90477183
[5-(2-bromo-6-pyrrolidin-1-ylpurin-9-yl)-4-ethynyloxolan-2-yl]methanol
CID 145444487
N-[6-(cyclopropylamino)-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl]purin-2-yl]-2-methylpropanamide
CID 134165942
N-[9-[(2R,3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 137132549

Frequently Asked Questions

What is the IUPAC name of ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide?
The IUPAC name of ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide (CID 145444547) is ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide.
What is the SMILES notation for ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide?
The canonical SMILES for ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide is CC.CC.CC[C@@H]1C[C@H](C)[C@H](n2cnc3c(N4CCCC4)nc(NC(=O)C(C)C)nc32)O1.
What is the InChIKey of ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide?
The InChIKey is HUEIQBTUOMDCDK-USAGICSLSA-N. The full InChI is InChI=1S/C20H30N6O2.2C2H6/c1-5-14-10-13(4)19(28-14)26-11-21-15-16(25-8-6-7-9-25)22-20(23-17(15)26)24-18(27)12(2)3;2*1-2/h11-14,19H,5-10H2,1-4H3,(H,22,23,24,27);2*1-2H3/t13-,14+,19+;;/m0../s1.
What are the key properties of ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide?
ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide has a molecular weight of 446.64 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 145444547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).