4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione

C11H8F2N2S — CID 106514111

IUPAC4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione
SMILESCc1cc(-c2cc(F)cc(F)c2)nc(=S)[nH]1
InChIInChI=1S/C11H8F2N2S/c1-6-2-10(15-11(16)14-6)7-3-8(12)5-9(13)4-7/h2-5H,1H3,(H,14,15,16)
InChIKeyOQECEXHDCCPXQY-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.39
Rot. Bonds1

About 4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione

4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione (PubChem CID 106514111) has the molecular formula C11H8F2N2S and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione
PubChem CID106514111
Molecular FormulaC11H8F2N2S
Molecular Weight238.26 g/mol
Exact Mass238.04
IUPAC Name4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione
SMILESCc1cc(-c2cc(F)cc(F)c2)nc(=S)[nH]1
InChIInChI=1S/C11H8F2N2S/c1-6-2-10(15-11(16)14-6)7-3-8(12)5-9(13)4-7/h2-5H,1H3,(H,14,15,16)
InChIKeyOQECEXHDCCPXQY-UHFFFAOYSA-N
XLogP3.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione 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

4-(2,3-difluoro-4-methylphenyl)-6-methyl-1H-pyrimidine-2-thione
CID 107516819
4-(2-fluoro-4,6-dimethylphenyl)-6-methyl-1H-pyrimidine-2-thione
CID 106884676
6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione
CID 106517184
6-methyl-4-(2-methylquinolin-6-yl)-1H-pyrimidine-2-thione
CID 106519557
4-(3H-benzimidazol-5-yl)-6-methyl-1H-pyrimidine-2-thione
CID 116894712
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidine-2-thione
CID 116894689
6-(3,5-difluorophenyl)-2,5-dimethyl-1H-pyrimidine-4-thione
CID 106514155
4-(5-methoxy-1H-pyrrol-1-ium-2-yl)-6-methyl-1H-pyrimidine-2-thione
CID 145444993
6-(3,5-difluorophenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106514135
4-(1-benzofuran-3-yl)-6-methyl-1H-pyrimidine-2-thione
CID 116894725
6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione
CID 89041658
6-methyl-4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-1H-pyrimidine-2-thione
CID 139343523

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione?
The IUPAC name of 4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione (CID 106514111) is 4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione.
What is the SMILES notation for 4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione?
The canonical SMILES for 4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione is Cc1cc(-c2cc(F)cc(F)c2)nc(=S)[nH]1.
What is the InChIKey of 4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione?
The InChIKey is OQECEXHDCCPXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2S/c1-6-2-10(15-11(16)14-6)7-3-8(12)5-9(13)4-7/h2-5H,1H3,(H,14,15,16).
What are the key properties of 4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione?
4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione has a molecular weight of 238.26 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-6-methyl-1H-pyrimidine-2-thione is sourced from PubChem (CID 106514111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).