1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one

C9H12N2O2S — CID 153342147

IUPAC1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one
SMILESCC1CCC(n2ccc(=S)[nH]c2=O)O1
InChIInChI=1S/C9H12N2O2S/c1-6-2-3-8(13-6)11-5-4-7(14)10-9(11)12/h4-6,8H,2-3H2,1H3,(H,10,12,14)
InChIKeyRITVUZXDSGPAGF-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.60
Rot. Bonds1

About 1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one

1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one (PubChem CID 153342147) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one
PubChem CID153342147
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one
SMILESCC1CCC(n2ccc(=S)[nH]c2=O)O1
InChIInChI=1S/C9H12N2O2S/c1-6-2-3-8(13-6)11-5-4-7(14)10-9(11)12/h4-6,8H,2-3H2,1H3,(H,10,12,14)
InChIKeyRITVUZXDSGPAGF-UHFFFAOYSA-N
XLogP1.60
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one 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

1-(2-oxooxolan-3-yl)-4-sulfanylidenepyrimidin-2-one
CID 23272220
5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione
CID 68663052
ethane;methoxy-N,N-di(propan-2-yl)phosphonamidous acid;1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione
CID 143089389
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70261386
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 167690170
1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-sulfanylidenepyrimidin-2-one
CID 175677702
4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one
CID 170014967
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
CID 169252397
1-[5-[(2-hydroxy-4H-1,3,2-benzodioxaphosphinin-2-ium-2-yl)oxymethyl]oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 153342383
1-[5-(4H-1,3,2-benzodioxaphosphinin-2-yloxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 156804197
CID 171528812
CID 171528812

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one?
The IUPAC name of 1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one (CID 153342147) is 1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one is CC1CCC(n2ccc(=S)[nH]c2=O)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one?
The InChIKey is RITVUZXDSGPAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-6-2-3-8(13-6)11-5-4-7(14)10-9(11)12/h4-6,8H,2-3H2,1H3,(H,10,12,14).
What are the key properties of 1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one?
1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one has a molecular weight of 212.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one is sourced from PubChem (CID 153342147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).