5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide

C19H28N6O2 — CID 142081090

IUPAC5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide
SMILESCCNC(=O)C1CCC(n2cnc3c(NC4CCCCC4)nc(C)nc32)O1
InChIInChI=1S/C19H28N6O2/c1-3-20-19(26)14-9-10-15(27-14)25-11-21-16-17(22-12(2)23-18(16)25)24-13-7-5-4-6-8-13/h11,13-15H,3-10H2,1-2H3,(H,20,26)(H,22,23,24)
InChIKeyHRLGAWYJZKXYNK-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.69
Rot. Bonds5

About 5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide

5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide (PubChem CID 142081090) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide.

Molecular Properties

Compound Name5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide
PubChem CID142081090
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide
SMILESCCNC(=O)C1CCC(n2cnc3c(NC4CCCCC4)nc(C)nc32)O1
InChIInChI=1S/C19H28N6O2/c1-3-20-19(26)14-9-10-15(27-14)25-11-21-16-17(22-12(2)23-18(16)25)24-13-7-5-4-6-8-13/h11,13-15H,3-10H2,1-2H3,(H,20,26)(H,22,23,24)
InChIKeyHRLGAWYJZKXYNK-UHFFFAOYSA-N
XLogP2.69
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide
CID 142819822
N-[3-(dimethylamino)propyl]-6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)oxolan-2-yl]purine-2-carboxamide
CID 142081087
[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 56967848
6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)oxolan-2-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]purine-2-carboxamide
CID 142081097
(2S,5R)-5-[6-amino-2-[3-(4-carbamoylcyclohexyl)prop-1-ynyl]purin-9-yl]-N-ethyloxolane-2-carboxamide
CID 142232067
(2R,3R,4S,5R)-2-[6-[(4-hydroxycyclohexyl)amino]-2-methylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 54439971
(4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide
CID 70882161
[4-[3-[6-amino-9-[5-(ethylcarbamoyl)oxolan-2-yl]purin-2-yl]prop-2-ynyl]cyclohexyl]methyl acetate
CID 143134410
[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 54592375
[5-[2-chloro-6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxymethyl-(ethoxycarbonyloxymethoxy)phosphinic acid
CID 166644912
4-[6-(cyclobutylamino)-2-methylpurin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
CID 123818272
(2S,3S,4R,5R)-5-[2-chloro-6-[[4-[[4-[[4-[[2-chloro-9-[(2R,3R,5S)-5-(ethylcarbamoyl)-3-hydroxyoxolan-2-yl]purin-6-yl]amino]cyclohexyl]amino]-1,3,5-triazin-2-yl]amino]cyclohexyl]amino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 88576032

Frequently Asked Questions

What is the IUPAC name of 5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide?
The IUPAC name of 5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide (CID 142081090) is 5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide.
What is the SMILES notation for 5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide?
The canonical SMILES for 5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide is CCNC(=O)C1CCC(n2cnc3c(NC4CCCCC4)nc(C)nc32)O1.
What is the InChIKey of 5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide?
The InChIKey is HRLGAWYJZKXYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-3-20-19(26)14-9-10-15(27-14)25-11-21-16-17(22-12(2)23-18(16)25)24-13-7-5-4-6-8-13/h11,13-15H,3-10H2,1-2H3,(H,20,26)(H,22,23,24).
What are the key properties of 5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide?
5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide is sourced from PubChem (CID 142081090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).