4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione

C9H12N2OS — CID 19980868

IUPAC4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione
SMILESCc1ccn(C2CCCO2)c(=S)n1
InChIInChI=1S/C9H12N2OS/c1-7-4-5-11(9(13)10-7)8-3-2-6-12-8/h4-5,8H,2-3,6H2,1H3
InChIKeyUUKGBGUMIBKWRI-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.23
Rot. Bonds1

About 4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione

4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione (PubChem CID 19980868) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione.

Molecular Properties

Compound Name4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione
PubChem CID19980868
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione
SMILESCc1ccn(C2CCCO2)c(=S)n1
InChIInChI=1S/C9H12N2OS/c1-7-4-5-11(9(13)10-7)8-3-2-6-12-8/h4-5,8H,2-3,6H2,1H3
InChIKeyUUKGBGUMIBKWRI-UHFFFAOYSA-N
XLogP2.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione?
The IUPAC name of 4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione (CID 19980868) is 4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione.
What is the SMILES notation for 4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione?
The canonical SMILES for 4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione is Cc1ccn(C2CCCO2)c(=S)n1.
What is the InChIKey of 4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione?
The InChIKey is UUKGBGUMIBKWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-7-4-5-11(9(13)10-7)8-3-2-6-12-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione?
4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione has a molecular weight of 196.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione is sourced from PubChem (CID 19980868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).