5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione

C16H26N2O6 — CID 91296344

IUPAC5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCCc1cn(C2OC(CC)C(O)C2OC(C)COC)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N2O6/c1-5-10-7-18(16(21)17-14(10)20)15-13(23-9(3)8-22-4)12(19)11(6-2)24-15/h7,9,11-13,15,19H,5-6,8H2,1-4H3,(H,17,20,21)
InChIKeySUIJSCWHYUTLRY-UHFFFAOYSA-N
MW342.39 g/mol
LogP0.19
Rot. Bonds7

About 5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione

5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 91296344) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is 5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID91296344
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCCc1cn(C2OC(CC)C(O)C2OC(C)COC)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N2O6/c1-5-10-7-18(16(21)17-14(10)20)15-13(23-9(3)8-22-4)12(19)11(6-2)24-15/h7,9,11-13,15,19H,5-6,8H2,1-4H3,(H,17,20,21)
InChIKeySUIJSCWHYUTLRY-UHFFFAOYSA-N
XLogP0.19
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane
CID 159229820
5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 91284540
2-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
CID 14776496
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3S)-3-methoxybutan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67961716
1-[(2R,3S,4R,5R)-4-bromo-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione
CID 67463464
5-ethyl-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodooxolan-2-yl]pyrimidine-2,4-dione
CID 67458604
methyl 2-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
CID 118370248
1-[(2R,3R,4R,5R)-5-[(1S)-1-deuterioethyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 88880674
1-[3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl acetate
CID 123783861
1-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 98008852
1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxypropylperoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 87185138
methyl 3-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropanoate
CID 172745372

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione (CID 91296344) is 5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione is CCc1cn(C2OC(CC)C(O)C2OC(C)COC)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is SUIJSCWHYUTLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6/c1-5-10-7-18(16(21)17-14(10)20)15-13(23-9(3)8-22-4)12(19)11(6-2)24-15/h7,9,11-13,15,19H,5-6,8H2,1-4H3,(H,17,20,21).
What are the key properties of 5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione?
5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 342.39 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 91296344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).