1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione

C11H16N2O4 — CID 58319640

IUPAC1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)CC1OC
InChIInChI=1S/C11H16N2O4/c1-3-7-8(16-2)6-10(17-7)13-5-4-9(14)12-11(13)15/h4-5,7-8,10H,3,6H2,1-2H3,(H,12,14,15)/t7-,8?,10-/m1/s1
InChIKeyPLFSWSLVNFGGGE-HUWCLSLFSA-N
MW240.26 g/mol
LogP0.25
Rot. Bonds3

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

1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 58319640) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID58319640
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)CC1OC
InChIInChI=1S/C11H16N2O4/c1-3-7-8(16-2)6-10(17-7)13-5-4-9(14)12-11(13)15/h4-5,7-8,10H,3,6H2,1-2H3,(H,12,14,15)/t7-,8?,10-/m1/s1
InChIKeyPLFSWSLVNFGGGE-HUWCLSLFSA-N
XLogP0.25
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 58319640) is 1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione is CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)CC1OC.
What is the InChIKey of 1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is PLFSWSLVNFGGGE-HUWCLSLFSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-7-8(16-2)6-10(17-7)13-5-4-9(14)12-11(13)15/h4-5,7-8,10H,3,6H2,1-2H3,(H,12,14,15)/t7-,8?,10-/m1/s1.
What are the key properties of 1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 240.26 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 58319640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).