methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate

C19H22N2O6 — CID 59278885

IUPACmethyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate
SMILESCOC(=O)C1(C)CC(n2ccc(=O)[nH]c2=O)OC1COCc1ccccc1
InChIInChI=1S/C19H22N2O6/c1-19(17(23)25-2)10-16(21-9-8-15(22)20-18(21)24)27-14(19)12-26-11-13-6-4-3-5-7-13/h3-9,14,16H,10-12H2,1-2H3,(H,20,22,24)
InChIKeyNNBNLEOIXXNPTE-UHFFFAOYSA-N
MW374.39 g/mol
LogP1.22
Rot. Bonds6

About methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate

methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate (PubChem CID 59278885) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate
PubChem CID59278885
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Namemethyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate
SMILESCOC(=O)C1(C)CC(n2ccc(=O)[nH]c2=O)OC1COCc1ccccc1
InChIInChI=1S/C19H22N2O6/c1-19(17(23)25-2)10-16(21-9-8-15(22)20-18(21)24)27-14(19)12-26-11-13-6-4-3-5-7-13/h3-9,14,16H,10-12H2,1-2H3,(H,20,22,24)
InChIKeyNNBNLEOIXXNPTE-UHFFFAOYSA-N
XLogP1.22
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate with MolForge

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Related Compounds

methyl (2S,3R,5S)-2-(butoxymethyl)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-3-carboxylate
CID 71241389
methyl (2S,5R)-5-hydroxy-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate
CID 91242398
1-[(2S,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71500431
1-[(2R,3S,4R,5R)-3-fluoro-3-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67439872
diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate
CID 25062289
1-[(2R,4S,5R)-4-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70457581
methyl (2S,3R,5S)-2-(hydroxymethyl)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate
CID 25061748
methyl (2S)-2-(hydroxymethyl)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate
CID 59278881
[4-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl]phenyl] acetate
CID 166712934
1-[(2S,5S)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 509512
benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate
CID 144948853
1-[(2R,3R,5R)-3,4,4-trihydroxy-5-(hydroxymethyl)-3-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 90934230

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate?
The IUPAC name of methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate (CID 59278885) is methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate.
What is the SMILES notation for methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate?
The canonical SMILES for methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate is COC(=O)C1(C)CC(n2ccc(=O)[nH]c2=O)OC1COCc1ccccc1.
What is the InChIKey of methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate?
The InChIKey is NNBNLEOIXXNPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-19(17(23)25-2)10-16(21-9-8-15(22)20-18(21)24)27-14(19)12-26-11-13-6-4-3-5-7-13/h3-9,14,16H,10-12H2,1-2H3,(H,20,22,24).
What are the key properties of methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate?
methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate has a molecular weight of 374.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate is sourced from PubChem (CID 59278885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).