diethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate

C15H21N3O7 — CID 13008900

IUPACdiethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate
SMILESCCOC(=O)[C@H]1C[C@@](C(=O)OCC)(n2cc(C)c(=O)[nH]c2=O)ON1C
InChIInChI=1S/C15H21N3O7/c1-5-23-12(20)10-7-15(25-17(10)4,13(21)24-6-2)18-8-9(3)11(19)16-14(18)22/h8,10H,5-7H2,1-4H3,(H,16,19,22)/t10-,15-/m1/s1
InChIKeyAIQBAJNJWYDQOZ-MEBBXXQBSA-N
MW355.35 g/mol
LogP-0.74
Rot. Bonds5

About diethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate

diethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate (PubChem CID 13008900) has the molecular formula C15H21N3O7 and a molecular weight of 355.35 g/mol. Its IUPAC name is diethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate
PubChem CID13008900
Molecular FormulaC15H21N3O7
Molecular Weight355.35 g/mol
Exact Mass355.14
IUPAC Namediethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate
SMILESCCOC(=O)[C@H]1C[C@@](C(=O)OCC)(n2cc(C)c(=O)[nH]c2=O)ON1C
InChIInChI=1S/C15H21N3O7/c1-5-23-12(20)10-7-15(25-17(10)4,13(21)24-6-2)18-8-9(3)11(19)16-14(18)22/h8,10H,5-7H2,1-4H3,(H,16,19,22)/t10-,15-/m1/s1
InChIKeyAIQBAJNJWYDQOZ-MEBBXXQBSA-N
XLogP-0.74
TPSA119.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate
CID 23247083
(2S,5S)-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 68950724
1-(5-ethyl-4-hydroxy-2-methyloxolan-2-yl)-5-methylpyrimidine-2,4-dione
CID 70864470
ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
CID 101070065
1-[(2S,5S)-2-bromo-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175251371
(2S,4S,5S)-4-azido-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 154167761
ethyl (Z)-2-fluoro-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enoate
CID 10083718
[5-ethynyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 164881966
ethyl 2-[(2R,4S,6S,8R)-2,6-dihydroxy-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-4-yl]acetate
CID 59052826
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67593732
[(2R,3S,4R,5S)-3-acetyl-5-bromo-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 151827045
methyl (2S)-2-(hydroxymethyl)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate
CID 59278881

Frequently Asked Questions

What is the IUPAC name of diethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate?
The IUPAC name of diethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate (CID 13008900) is diethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate.
What is the SMILES notation for diethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate?
The canonical SMILES for diethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate is CCOC(=O)[C@H]1C[C@@](C(=O)OCC)(n2cc(C)c(=O)[nH]c2=O)ON1C.
What is the InChIKey of diethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate?
The InChIKey is AIQBAJNJWYDQOZ-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H21N3O7/c1-5-23-12(20)10-7-15(25-17(10)4,13(21)24-6-2)18-8-9(3)11(19)16-14(18)22/h8,10H,5-7H2,1-4H3,(H,16,19,22)/t10-,15-/m1/s1.
What are the key properties of diethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate?
diethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate has a molecular weight of 355.35 g/mol, XLogP of -0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (3R,5R)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-3,5-dicarboxylate is sourced from PubChem (CID 13008900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).