7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

C16H24N4O3 — CID 163819918

IUPAC7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCO[C@@H]1[C@H](OCC)[C@@H](CC)O[C@H]1n1ccc2c(N)ncnc21
InChIInChI=1S/C16H24N4O3/c1-4-11-12(21-5-2)13(22-6-3)16(23-11)20-8-7-10-14(17)18-9-19-15(10)20/h7-9,11-13,16H,4-6H2,1-3H3,(H2,17,18,19)/t11-,12-,13-,16-/m1/s1
InChIKeyNUMQROGQTPOTJF-BRXULGCHSA-N
MW320.39 g/mol
LogP2.13
Rot. Bonds6

About 7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 163819918) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID163819918
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCO[C@@H]1[C@H](OCC)[C@@H](CC)O[C@H]1n1ccc2c(N)ncnc21
InChIInChI=1S/C16H24N4O3/c1-4-11-12(21-5-2)13(22-6-3)16(23-11)20-8-7-10-14(17)18-9-19-15(10)20/h7-9,11-13,16H,4-6H2,1-3H3,(H2,17,18,19)/t11-,12-,13-,16-/m1/s1
InChIKeyNUMQROGQTPOTJF-BRXULGCHSA-N
XLogP2.13
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R,5S,6S,7R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-7-(hydroxymethyl)oxepane-3,4,5,6-tetrol
CID 71171797
2-[[(2S,3S,4R,5R)-3,4-diacetyloxy-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methylsulfanyl]ethyl acetate
CID 45272313
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 172806885
[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 175676082
(2R,3S,4S,5R,6S,7R)-7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-6-fluoro-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940152
(2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol
CID 166720086
[1-[(3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylpropan-2-yl]oxy-propan-2-ylphosphinic acid
CID 149147704
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405
(2S,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 6479816
(2R,3S,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3-ethylquinolin-7-yl)oxymethyl]-4-iodooxolan-3-ol
CID 126638605
methyl 2-amino-4-[[(2S,3S,4R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoate
CID 46876659
(3R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(S)-hydroxy(phenyl)methyl]oxolane-3,4-diol
CID 166161383

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 163819918) is 7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is CCO[C@@H]1[C@H](OCC)[C@@H](CC)O[C@H]1n1ccc2c(N)ncnc21.
What is the InChIKey of 7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NUMQROGQTPOTJF-BRXULGCHSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-11-12(21-5-2)13(22-6-3)16(23-11)20-8-7-10-14(17)18-9-19-15(10)20/h7-9,11-13,16H,4-6H2,1-3H3,(H2,17,18,19)/t11-,12-,13-,16-/m1/s1.
What are the key properties of 7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 320.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 163819918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).