ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione

C14H26N2O4 — CID 144654171

IUPACethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCC.CC.C[C@H]1C[C@@H](CO)OC1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4.2C2H6/c1-6-4-7(5-13)16-9(6)12-3-2-8(14)11-10(12)15;2*1-2/h2-3,6-7,9,13H,4-5H2,1H3,(H,11,14,15);2*1-2H3/t6-,7-,9?;;/m0../s1
InChIKeyUZXUYQMATVHMAZ-CQMSYNOPSA-N
MW286.37 g/mol
LogP1.50
Rot. Bonds2

About ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione

ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 144654171) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Nameethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID144654171
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCC.CC.C[C@H]1C[C@@H](CO)OC1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4.2C2H6/c1-6-4-7(5-13)16-9(6)12-3-2-8(14)11-10(12)15;2*1-2/h2-3,6-7,9,13H,4-5H2,1H3,(H,11,14,15);2*1-2H3/t6-,7-,9?;;/m0../s1
InChIKeyUZXUYQMATVHMAZ-CQMSYNOPSA-N
XLogP1.50
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145071280
[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy thiohypoiodite;ethane;methane
CID 144654228
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-prop-2-ynyloxolan-2-yl]pyrimidine-2,4-dione
CID 169053394
1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145078336
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10490207
1-[(2S,3R,5R)-3-azido-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 7179677
1-[(2R,5S)-3-azido-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 21145594
1-[(2R,3R,5S)-5-ethyl-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 135134474
1-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 582840
ethane;1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145193234
[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate
CID 172580557

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 144654171) is ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is CC.CC.C[C@H]1C[C@@H](CO)OC1n1ccc(=O)[nH]c1=O.
What is the InChIKey of ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is UZXUYQMATVHMAZ-CQMSYNOPSA-N. The full InChI is InChI=1S/C10H14N2O4.2C2H6/c1-6-4-7(5-13)16-9(6)12-3-2-8(14)11-10(12)15;2*1-2/h2-3,6-7,9,13H,4-5H2,1H3,(H,11,14,15);2*1-2H3/t6-,7-,9?;;/m0../s1.
What are the key properties of ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 286.37 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 144654171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).