1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione

C10H12N2O5 — CID 123907819

IUPAC1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione
SMILESC=C1OC(n2ccc(=O)[nH]c2=O)C(C)(O)C1O
InChIInChI=1S/C10H12N2O5/c1-5-7(14)10(2,16)8(17-5)12-4-3-6(13)11-9(12)15/h3-4,7-8,14,16H,1H2,2H3,(H,11,13,15)
InChIKeyOUYYYNJGCAZOIH-UHFFFAOYSA-N
MW240.22 g/mol
LogP-1.31
Rot. Bonds1

About 1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione

1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 123907819) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione
PubChem CID123907819
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione
SMILESC=C1OC(n2ccc(=O)[nH]c2=O)C(C)(O)C1O
InChIInChI=1S/C10H12N2O5/c1-5-7(14)10(2,16)8(17-5)12-4-3-6(13)11-9(12)15/h3-4,7-8,14,16H,1H2,2H3,(H,11,13,15)
InChIKeyOUYYYNJGCAZOIH-UHFFFAOYSA-N
XLogP-1.31
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,3R,4R)-3-ethynyl-3-fluoro-4-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 90247969
1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-(113C)methyloxolan-2-yl]pyrimidine-2,4-dione
CID 134258297
CID 161097869
CID 161097869
1-[(2R,3S,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 118476572
1-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 163602182
1-[(2R,3R,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 118019517
1-[(3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 118594350
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrimidine-2,4-dione
CID 134454244
1-[(2R)-3-methyl-5-methylidene-2H-furan-2-yl]pyrimidine-2,4-dione
CID 135024421
1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 165155999
1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174114354
1-[(1S,2R,4R,5S)-1,5-dihydroxy-4-(hydroxymethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione
CID 23624086

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione (CID 123907819) is 1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione is C=C1OC(n2ccc(=O)[nH]c2=O)C(C)(O)C1O.
What is the InChIKey of 1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is OUYYYNJGCAZOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-5-7(14)10(2,16)8(17-5)12-4-3-6(13)11-9(12)15/h3-4,7-8,14,16H,1H2,2H3,(H,11,13,15).
What are the key properties of 1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione?
1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 240.22 g/mol, XLogP of -1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 123907819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).