1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione

C12H18N2O5 — CID 121007446

IUPAC1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
SMILESCO[C@H]1C[C@H](n2cc(C)c(=O)n(C)c2=O)O[C@@H]1CO
InChIInChI=1S/C12H18N2O5/c1-7-5-14(12(17)13(2)11(7)16)10-4-8(18-3)9(6-15)19-10/h5,8-10,15H,4,6H2,1-3H3/t8-,9+,10+/m0/s1
InChIKeyOTGWWXWWYKWZTC-IVZWLZJFSA-N
MW270.28 g/mol
LogP-0.85
Rot. Bonds3

About 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione

1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione (PubChem CID 121007446) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
PubChem CID121007446
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
SMILESCO[C@H]1C[C@H](n2cc(C)c(=O)n(C)c2=O)O[C@@H]1CO
InChIInChI=1S/C12H18N2O5/c1-7-5-14(12(17)13(2)11(7)16)10-4-8(18-3)9(6-15)19-10/h5,8-10,15H,4,6H2,1-3H3/t8-,9+,10+/m0/s1
InChIKeyOTGWWXWWYKWZTC-IVZWLZJFSA-N
XLogP-0.85
TPSA82.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 6990676
1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 59283951
1-[(2R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 70996457
5-(2-bromoethenyl)-1-[(2R,4S,5S)-5-(fluoromethyl)-4-methoxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione
CID 173088851
3-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57213361
3-(2-(18F)fluoroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 16661562
3-benzyl-1-[(2S,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 100910495
[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]phosphonic acid
CID 174389603
3-[(2R,3R,5R)-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxyphosphanyloxypropanenitrile
CID 59283923
[(2R,3S,5R)-5-(3-benzoyl-5-methyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate
CID 10961359
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175775727
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 118334097

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione (CID 121007446) is 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is CO[C@H]1C[C@H](n2cc(C)c(=O)n(C)c2=O)O[C@@H]1CO.
What is the InChIKey of 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
The InChIKey is OTGWWXWWYKWZTC-IVZWLZJFSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-7-5-14(12(17)13(2)11(7)16)10-4-8(18-3)9(6-15)19-10/h5,8-10,15H,4,6H2,1-3H3/t8-,9+,10+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione has a molecular weight of 270.28 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 121007446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).