1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione

C10H14N2O5S — CID 70364906

IUPAC1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCS(=O)(=O)C[C@@H]1CO[C@@H](n2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C10H14N2O5S/c1-18(15,16)6-7-4-9(17-5-7)12-3-2-8(13)11-10(12)14/h2-3,7,9H,4-6H2,1H3,(H,11,13,14)/t7-,9+/m0/s1
InChIKeyVJUMFTFZSMYRQC-IONNQARKSA-N
MW274.30 g/mol
LogP-0.88
Rot. Bonds3

About 1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 70364906) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID70364906
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCS(=O)(=O)C[C@@H]1CO[C@@H](n2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C10H14N2O5S/c1-18(15,16)6-7-4-9(17-5-7)12-3-2-8(13)11-10(12)14/h2-3,7,9H,4-6H2,1H3,(H,11,13,14)/t7-,9+/m0/s1
InChIKeyVJUMFTFZSMYRQC-IONNQARKSA-N
XLogP-0.88
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl methanesulfonate
CID 11246083
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione
CID 58159388
disodium;1-[(2R,4R)-4-(phosphonatomethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 11427650
1-[(2R,4S)-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 170212798
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 15172860
[(2R,3S,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
CID 14842989
1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
1-(2-ethyl-1,3-oxathiolan-5-yl)pyrimidine-2,4-dione
CID 58813307
1-[(2R,3R,5S)-5-ethyl-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 135134474
1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione
CID 5326138

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 70364906) is 1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione is CS(=O)(=O)C[C@@H]1CO[C@@H](n2ccc(=O)[nH]c2=O)C1.
What is the InChIKey of 1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is VJUMFTFZSMYRQC-IONNQARKSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-18(15,16)6-7-4-9(17-5-7)12-3-2-8(13)11-10(12)14/h2-3,7,9H,4-6H2,1H3,(H,11,13,14)/t7-,9+/m0/s1.
What are the key properties of 1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 274.30 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 70364906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).