[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate

C16H22N2O6 — CID 172580557

IUPAC[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate
SMILESCC1CC(COC(=O)C2(C)CCCO2)OC1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H22N2O6/c1-10-8-11(9-22-14(20)16(2)5-3-7-23-16)24-13(10)18-6-4-12(19)17-15(18)21/h4,6,10-11,13H,3,5,7-9H2,1-2H3,(H,17,19,21)
InChIKeyXYOQXLZGCOEGAR-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.57
Rot. Bonds4

About [5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate

[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate (PubChem CID 172580557) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is [5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate.

Molecular Properties

Compound Name[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate
PubChem CID172580557
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate
SMILESCC1CC(COC(=O)C2(C)CCCO2)OC1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H22N2O6/c1-10-8-11(9-22-14(20)16(2)5-3-7-23-16)24-13(10)18-6-4-12(19)17-15(18)21/h4,6,10-11,13H,3,5,7-9H2,1-2H3,(H,17,19,21)
InChIKeyXYOQXLZGCOEGAR-UHFFFAOYSA-N
XLogP0.57
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 144654171
[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] 2-methyloxolane-2-carboxylate;[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl cyclohexanecarboxylate;[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-methylcyclohexane-1-carboxylate
CID 172580515
[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate
CID 172580603
[(2R,3S,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 12896719
1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145078336
[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
CID 13323334
cyclohexyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-(4-fluorophenoxy)phosphoryl]amino]propanoate
CID 123797255
benzenethiol;ethane;methanol;propan-2-yl 2-[2-[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy]hydrazinyl]propanoate
CID 144899519
propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
CID 142289099
1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate?
The IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate (CID 172580557) is [5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate.
What is the SMILES notation for [5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate?
The canonical SMILES for [5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate is CC1CC(COC(=O)C2(C)CCCO2)OC1n1ccc(=O)[nH]c1=O.
What is the InChIKey of [5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate?
The InChIKey is XYOQXLZGCOEGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-10-8-11(9-22-14(20)16(2)5-3-7-23-16)24-13(10)18-6-4-12(19)17-15(18)21/h4,6,10-11,13H,3,5,7-9H2,1-2H3,(H,17,19,21).
What are the key properties of [5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate?
[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate is sourced from PubChem (CID 172580557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).