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

C10H14N2OS — CID 106476802

IUPAC5,6-dimethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CCCO2)nc(=S)c1C
InChIInChI=1S/C10H14N2OS/c1-6-7(2)11-9(12-10(6)14)8-4-3-5-13-8/h8H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyAXDZRPZWUHPPDI-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.61
Rot. Bonds1

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

5,6-dimethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106476802) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 5,6-dimethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
PubChem CID106476802
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name5,6-dimethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CCCO2)nc(=S)c1C
InChIInChI=1S/C10H14N2OS/c1-6-7(2)11-9(12-10(6)14)8-4-3-5-13-8/h8H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyAXDZRPZWUHPPDI-UHFFFAOYSA-N
XLogP2.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475529
6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione
CID 106475758
6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 106475781
6-tert-butyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 106476035
6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 106476277
5,6-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106476650
2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476666
2-(1-ethoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476677
2-(1-methoxybutyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476680
2-[cyclopropyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476714
2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476738
2-(1-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476744

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione (CID 106476802) is 5,6-dimethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione is Cc1[nH]c(C2CCCO2)nc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is AXDZRPZWUHPPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-6-7(2)11-9(12-10(6)14)8-4-3-5-13-8/h8H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of 5,6-dimethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
5,6-dimethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 210.30 g/mol, XLogP of 2.61, 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-(oxolan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).