1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione

C10H12N2O5S — CID 100925330

IUPAC1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](O)C(=S)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O5S/c1-4-3-12(10(16)11-8(4)15)6-2-5(13)7(14)9(18)17-6/h3,5-7,13-14H,2H2,1H3,(H,11,15,16)/t5-,6+,7+/m0/s1
InChIKeyWGAOXZRQKDLZDS-RRKCRQDMSA-N
MW272.28 g/mol
LogP-1.19
Rot. Bonds1

About 1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 100925330) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID100925330
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](O)C(=S)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O5S/c1-4-3-12(10(16)11-8(4)15)6-2-5(13)7(14)9(18)17-6/h3,5-7,13-14H,2H2,1H3,(H,11,15,16)/t5-,6+,7+/m0/s1
InChIKeyWGAOXZRQKDLZDS-RRKCRQDMSA-N
XLogP-1.19
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
1-[(2R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 25134798
1-[(2R,4S,5R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14079545
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylazanium
CID 7272008
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-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]-5-methylpyrimidine-2,4-dione
CID 139505571
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
1-[(2R,5S)-4-hydroxy-5-(iodomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57079111
1-[(2R,4S,5R)-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175678261
1-[(2R,4S,5S)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7272011
actinium;1-[(5S)-4-hydroxy-5-(sulfanylmethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59948488

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione (CID 100925330) is 1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H](O)[C@@H](O)C(=S)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is WGAOXZRQKDLZDS-RRKCRQDMSA-N. The full InChI is InChI=1S/C10H12N2O5S/c1-4-3-12(10(16)11-8(4)15)6-2-5(13)7(14)9(18)17-6/h3,5-7,13-14H,2H2,1H3,(H,11,15,16)/t5-,6+,7+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 272.28 g/mol, XLogP of -1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 100925330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).