2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione

C12H18N2S — CID 107924895

IUPAC2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C2CC2(C)C)nc(=S)c1C
InChIInChI=1S/C12H18N2S/c1-5-9-7(2)11(15)14-10(13-9)8-6-12(8,3)4/h8H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyZEGMTXGLAOPYLL-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.52
Rot. Bonds2

About 2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione

2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione (PubChem CID 107924895) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
PubChem CID107924895
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C2CC2(C)C)nc(=S)c1C
InChIInChI=1S/C12H18N2S/c1-5-9-7(2)11(15)14-10(13-9)8-6-12(8,3)4/h8H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyZEGMTXGLAOPYLL-UHFFFAOYSA-N
XLogP3.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione (CID 107924895) is 2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione is CCc1[nH]c(C2CC2(C)C)nc(=S)c1C.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione?
The InChIKey is ZEGMTXGLAOPYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-5-9-7(2)11(15)14-10(13-9)8-6-12(8,3)4/h8H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione?
2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione has a molecular weight of 222.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 107924895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).