5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione

C12H18N2O6 — CID 138706116

IUPAC5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C2OC(CCO)C(O)C2O)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N2O6/c1-13-5-6(11(18)14(2)12(13)19)10-9(17)8(16)7(20-10)3-4-15/h5,7-10,15-17H,3-4H2,1-2H3
InChIKeyBCVZGAQVVHJILF-UHFFFAOYSA-N
MW286.28 g/mol
LogP-2.37
Rot. Bonds3

About 5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione

5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 138706116) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID138706116
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C2OC(CCO)C(O)C2O)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N2O6/c1-13-5-6(11(18)14(2)12(13)19)10-9(17)8(16)7(20-10)3-4-15/h5,7-10,15-17H,3-4H2,1-2H3
InChIKeyBCVZGAQVVHJILF-UHFFFAOYSA-N
XLogP-2.37
TPSA113.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-2.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 175677425
[1-[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]-2-fluorobutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid
CID 90165276
[2-[5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]-3-methylpentan-3-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid
CID 123882493
[(2R,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 159100675
5-[(2S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-methylpyrimidine-2,4-dione
CID 144823454
[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane
CID 158031902
[(2R,3S,4R)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane
CID 159469943
[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane
CID 159469946
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propylpyrimidine-2,4-dione
CID 90220597
[3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphite
CID 138665416
5-[(2S,3S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 129144206
5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1-ethylpyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-5-[(3-methylbut-2-enylamino)methyl]pyrimidine-2,4-dione
CID 157129220

Frequently Asked Questions

What is the IUPAC name of 5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 138706116) is 5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(C2OC(CCO)C(O)C2O)c(=O)n(C)c1=O.
What is the InChIKey of 5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is BCVZGAQVVHJILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-13-5-6(11(18)14(2)12(13)19)10-9(17)8(16)7(20-10)3-4-15/h5,7-10,15-17H,3-4H2,1-2H3.
What are the key properties of 5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 286.28 g/mol, XLogP of -2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 138706116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).