5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide

C13H18N6O4 — CID 72641180

IUPAC5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide
SMILESCCN(C)C(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChIInChI=1S/C13H18N6O4/c1-3-18(2)12(22)9-7(20)8(21)13(23-9)19-5-17-6-10(14)15-4-16-11(6)19/h4-5,7-9,13,20-21H,3H2,1-2H3,(H2,14,15,16)
InChIKeyCFBCTNGXNOUHLL-UHFFFAOYSA-N
MW322.33 g/mol
LogP-1.49
Rot. Bonds3

About 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide

5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide (PubChem CID 72641180) has the molecular formula C13H18N6O4 and a molecular weight of 322.33 g/mol. Its IUPAC name is 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide
PubChem CID72641180
Molecular FormulaC13H18N6O4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC Name5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide
SMILESCCN(C)C(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChIInChI=1S/C13H18N6O4/c1-3-18(2)12(22)9-7(20)8(21)13(23-9)19-5-17-6-10(14)15-4-16-11(6)19/h4-5,7-9,13,20-21H,3H2,1-2H3,(H2,14,15,16)
InChIKeyCFBCTNGXNOUHLL-UHFFFAOYSA-N
XLogP-1.49
TPSA139.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N,N-dimethyloxolane-2-carboxamide
CID 21128963
(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 7068779
ethyl (2S,3S,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate
CID 92526208
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethoxy-3,4-dihydroxyoxolane-2-carboxamide
CID 10734748
(2R,3S,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 7264462
(2S,3S,4R)-5-(6-aminopurin-9-yl)-N-[2-(diethylamino)ethyl]-3,4-dihydroxyoxolane-2-carboxamide
CID 21152090
(2S,3S,4S,5R,6R)-6-(6-aminopurin-9-yl)-3,4,5-trihydroxyoxane-2-carboxamide
CID 131852589
5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carbothioamide
CID 14157149
(2S,3S,4R)-5-(6-aminopurin-9-yl)-N-dodecyl-3,4-dihydroxyoxolane-2-carboxamide
CID 46875266
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-dodecyl-3,4-dihydroxyoxolane-2-carboxamide
CID 10503646
5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide
CID 1761
[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone
CID 69380203

Frequently Asked Questions

What is the IUPAC name of 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide?
The IUPAC name of 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide (CID 72641180) is 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide.
What is the SMILES notation for 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide?
The canonical SMILES for 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide is CCN(C)C(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O.
What is the InChIKey of 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide?
The InChIKey is CFBCTNGXNOUHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O4/c1-3-18(2)12(22)9-7(20)8(21)13(23-9)19-5-17-6-10(14)15-4-16-11(6)19/h4-5,7-9,13,20-21H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide?
5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide has a molecular weight of 322.33 g/mol, XLogP of -1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 72641180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).