1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

C13H20N2O5S — CID 102002427

IUPAC1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCCSC1CC(n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C(O)CO
InChIInChI=1S/C13H20N2O5S/c1-3-21-9-4-10(20-11(9)8(17)6-16)15-5-7(2)12(18)14-13(15)19/h5,8-11,16-17H,3-4,6H2,1-2H3,(H,14,18,19)/t8?,9?,10?,11-/m1/s1
InChIKeyPOIAFZWNSHEZKQ-AHELAYONSA-N
MW316.38 g/mol
LogP-0.39
Rot. Bonds5

About 1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 102002427) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID102002427
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCCSC1CC(n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C(O)CO
InChIInChI=1S/C13H20N2O5S/c1-3-21-9-4-10(20-11(9)8(17)6-16)15-5-7(2)12(18)14-13(15)19/h5,8-11,16-17H,3-4,6H2,1-2H3,(H,14,18,19)/t8?,9?,10?,11-/m1/s1
InChIKeyPOIAFZWNSHEZKQ-AHELAYONSA-N
XLogP-0.39
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,4S,5R)-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175678261
1-[(2R,4R,5R)-4-amino-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 3000338
1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22883960
1-[(2R,4R,5R)-5-(hydroxymethyl)-4-(2-methylsulfanylethylsulfanyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71159001
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
1-[(2R,4S,5R)-4-(ethylsulfanylmethoxy)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 167320681
[[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid
CID 69200333
1-[(2R,4S,5S)-4-hydroxy-5-[hydroxy-(prop-2-enylamino)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67875373
1-[(2S,5R)-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 154531744

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 102002427) is 1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is CCSC1CC(n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C(O)CO.
What is the InChIKey of 1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is POIAFZWNSHEZKQ-AHELAYONSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-3-21-9-4-10(20-11(9)8(17)6-16)15-5-7(2)12(18)14-13(15)19/h5,8-11,16-17H,3-4,6H2,1-2H3,(H,14,18,19)/t8?,9?,10?,11-/m1/s1.
What are the key properties of 1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 316.38 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-(1,2-dihydroxyethyl)-4-ethylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 102002427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).