1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione

C14H18N2O5 — CID 174082533

IUPAC1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESC#CCOC1[C@@H](CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H]1OC
InChIInChI=1S/C14H18N2O5/c1-4-8-20-11-9(5-2)21-13(12(11)19-3)16-7-6-10(17)15-14(16)18/h1,6-7,9,11-13H,5,8H2,2-3H3,(H,15,17,18)/t9-,11?,12+,13-/m1/s1
InChIKeyUTMZHLPHJWGSKZ-KLBFZIACSA-N
MW294.31 g/mol
LogP-0.12
Rot. Bonds5

About 1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 174082533) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID174082533
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESC#CCOC1[C@@H](CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H]1OC
InChIInChI=1S/C14H18N2O5/c1-4-8-20-11-9(5-2)21-13(12(11)19-3)16-7-6-10(17)15-14(16)18/h1,6-7,9,11-13H,5,8H2,2-3H3,(H,15,17,18)/t9-,11?,12+,13-/m1/s1
InChIKeyUTMZHLPHJWGSKZ-KLBFZIACSA-N
XLogP-0.12
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465347
1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 118461754
[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] dihydrogen phosphate
CID 153213214
1-[(2R,5R)-5-ethyl-3-methoxy-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174076442
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)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 118461488
1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-N-methylmethanesulfonamide
CID 174076838
1-[(2R,3R,4R,5R)-4-hydroxy-3-methoxy-5-[(prop-2-ynylamino)methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 174150751
1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 157163438
1-[3-prop-2-ynoxy-5-(tetradecan-7-yloxymethyl)-4-tridecan-6-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 134223463
1-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164958906

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 174082533) is 1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione is C#CCOC1[C@@H](CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H]1OC.
What is the InChIKey of 1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is UTMZHLPHJWGSKZ-KLBFZIACSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-4-8-20-11-9(5-2)21-13(12(11)19-3)16-7-6-10(17)15-14(16)18/h1,6-7,9,11-13H,5,8H2,2-3H3,(H,15,17,18)/t9-,11?,12+,13-/m1/s1.
What are the key properties of 1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 294.31 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 174082533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).