5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione

C11H16N2OS — CID 106476782

IUPAC5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2(C)CCCO2)nc(=S)c1C
InChIInChI=1S/C11H16N2OS/c1-7-8(2)12-10(13-9(7)15)11(3)5-4-6-14-11/h4-6H2,1-3H3,(H,12,13,15)
InChIKeyVOVYOMLQLNTTRA-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.78
Rot. Bonds1

About 5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione

5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106476782) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione
PubChem CID106476782
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2(C)CCCO2)nc(=S)c1C
InChIInChI=1S/C11H16N2OS/c1-7-8(2)12-10(13-9(7)15)11(3)5-4-6-14-11/h4-6H2,1-3H3,(H,12,13,15)
InChIKeyVOVYOMLQLNTTRA-UHFFFAOYSA-N
XLogP2.78
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione (CID 106476782) is 5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione is Cc1[nH]c(C2(C)CCCO2)nc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is VOVYOMLQLNTTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7-8(2)12-10(13-9(7)15)11(3)5-4-6-14-11/h4-6H2,1-3H3,(H,12,13,15).
What are the key properties of 5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione?
5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 224.33 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).