1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione

C13H19N5O5 — CID 134507582

IUPAC1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OCCOC)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C13H19N5O5/c1-3-8-10(16-17-14)11(22-7-6-21-2)12(23-8)18-5-4-9(19)15-13(18)20/h4-5,8,10-12H,3,6-7H2,1-2H3,(H,15,19,20)/t8-,10-,11-,12-/m1/s1
InChIKeyRMXQUIOBGSJNPN-HJQYOEGKSA-N
MW325.33 g/mol
LogP0.55
Rot. Bonds7

About 1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 134507582) has the molecular formula C13H19N5O5 and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID134507582
Molecular FormulaC13H19N5O5
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OCCOC)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C13H19N5O5/c1-3-8-10(16-17-14)11(22-7-6-21-2)12(23-8)18-5-4-9(19)15-13(18)20/h4-5,8,10-12H,3,6-7H2,1-2H3,(H,15,19,20)/t8-,10-,11-,12-/m1/s1
InChIKeyRMXQUIOBGSJNPN-HJQYOEGKSA-N
XLogP0.55
TPSA131.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[(2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 100911070
1-[(2R,3R,4R,5S)-4-amino-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 168819412
1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465347
[(2R,3S,4R,5R)-4-azido-5-(benzamidomethyl)-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 15755572
1-[(2S,3S,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 92531646
[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] dihydrogen phosphate
CID 153213214
1-[(2R,3S,4S,5R)-4-azido-5-(azidomethyl)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 15755601
1-[(2S,4R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465356
1-[(2R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70658640
1-[(2R,3S,5R)-3-(aminomethoxy)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 126550157
1-[(2R,5R)-5-ethyl-3-methoxy-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174076442
1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174082533

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione (CID 134507582) is 1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione is CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OCCOC)[C@@H]1N=[N+]=[N-].
What is the InChIKey of 1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is RMXQUIOBGSJNPN-HJQYOEGKSA-N. The full InChI is InChI=1S/C13H19N5O5/c1-3-8-10(16-17-14)11(22-7-6-21-2)12(23-8)18-5-4-9(19)15-13(18)20/h4-5,8,10-12H,3,6-7H2,1-2H3,(H,15,19,20)/t8-,10-,11-,12-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 325.33 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-4-azido-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 134507582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).