(2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide

C14H20N6O4 — CID 70908334

IUPAC(2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide
SMILESCC[C@]1(C(=O)NC)O[C@@H](n2cnc3c(N)ncnc32)C(OC)C1O
InChIInChI=1S/C14H20N6O4/c1-4-14(13(22)16-2)9(21)8(23-3)12(24-14)20-6-19-7-10(15)17-5-18-11(7)20/h5-6,8-9,12,21H,4H2,1-3H3,(H,16,22)(H2,15,17,18)/t8?,9?,12-,14+/m1/s1
InChIKeyNCZQKVFAPSXQFW-IXDYGZMJSA-N
MW336.35 g/mol
LogP-0.79
Rot. Bonds4

About (2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide

(2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide (PubChem CID 70908334) has the molecular formula C14H20N6O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide
PubChem CID70908334
Molecular FormulaC14H20N6O4
Molecular Weight336.35 g/mol
Exact Mass336.15
IUPAC Name(2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide
SMILESCC[C@]1(C(=O)NC)O[C@@H](n2cnc3c(N)ncnc32)C(OC)C1O
InChIInChI=1S/C14H20N6O4/c1-4-14(13(22)16-2)9(21)8(23-3)12(24-14)20-6-19-7-10(15)17-5-18-11(7)20/h5-6,8-9,12,21H,4H2,1-3H3,(H,16,22)(H2,15,17,18)/t8?,9?,12-,14+/m1/s1
InChIKeyNCZQKVFAPSXQFW-IXDYGZMJSA-N
XLogP-0.79
TPSA137.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide
CID 70902213
9-[(2R)-4-dihydroxyphosphinothioyloxy-5,5-diethyl-3-methoxyoxolan-2-yl]purin-6-amine
CID 163689829
(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 58319615
[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 6481828
methyl 2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]acetate
CID 131858771
5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 19076332
(2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol
CID 67588399
(2R,3S,4S,5R,6R,7R)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methoxyoxepane-3,4,5-triol
CID 58940512
9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine
CID 59133676
(2R,3S,4R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 59138443
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 22677627
9-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 56634843

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide (CID 70908334) is (2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide is CC[C@]1(C(=O)NC)O[C@@H](n2cnc3c(N)ncnc32)C(OC)C1O.
What is the InChIKey of (2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide?
The InChIKey is NCZQKVFAPSXQFW-IXDYGZMJSA-N. The full InChI is InChI=1S/C14H20N6O4/c1-4-14(13(22)16-2)9(21)8(23-3)12(24-14)20-6-19-7-10(15)17-5-18-11(7)20/h5-6,8-9,12,21H,4H2,1-3H3,(H,16,22)(H2,15,17,18)/t8?,9?,12-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide?
(2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 70908334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).