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

C12H18N2O5 — CID 173465347

IUPAC1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1OC
InChIInChI=1S/C12H18N2O5/c1-4-7-9(17-2)10(18-3)11(19-7)14-6-5-8(15)13-12(14)16/h5-7,9-11H,4H2,1-3H3,(H,13,15,16)/t7-,9+,10?,11+/m1/s1
InChIKeyMGIAZXHYMFRWAR-QWDIWVAESA-N
MW270.29 g/mol
LogP-0.13
Rot. Bonds4

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

1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 173465347) has the molecular formula C12H18N2O5 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID173465347
Molecular FormulaC12H18N2O5
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1OC
InChIInChI=1S/C12H18N2O5/c1-4-7-9(17-2)10(18-3)11(19-7)14-6-5-8(15)13-12(14)16/h5-7,9-11H,4H2,1-3H3,(H,13,15,16)/t7-,9+,10?,11+/m1/s1
InChIKeyMGIAZXHYMFRWAR-QWDIWVAESA-N
XLogP-0.13
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] dihydrogen phosphate
CID 153213214
1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174082533
1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-N-methylmethanesulfonamide
CID 174076838
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-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164958906
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
1-[(2R,3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 15333745
1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide
CID 167095243
1-[(2S,4R)-2-(hydroxymethyl)-5-methoxy-3-oxabicyclo[4.1.0]heptan-4-yl]pyrimidine-2,4-dione
CID 174002533

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 173465347) is 1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione is CC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1OC.
What is the InChIKey of 1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is MGIAZXHYMFRWAR-QWDIWVAESA-N. The full InChI is InChI=1S/C12H18N2O5/c1-4-7-9(17-2)10(18-3)11(19-7)14-6-5-8(15)13-12(14)16/h5-7,9-11H,4H2,1-3H3,(H,13,15,16)/t7-,9+,10?,11+/m1/s1.
What are the key properties of 1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione?
1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 270.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 173465347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).