4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione

C11H11FN2S — CID 122188611

IUPAC4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC1=CC(c2ccc(F)cc2)NC(=S)N1
InChIInChI=1S/C11H11FN2S/c1-7-6-10(14-11(15)13-7)8-2-4-9(12)5-3-8/h2-6,10H,1H3,(H2,13,14,15)
InChIKeyVCEZKAIEWQQXRM-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.25
Rot. Bonds1

About 4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione

4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione (PubChem CID 122188611) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione
PubChem CID122188611
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC1=CC(c2ccc(F)cc2)NC(=S)N1
InChIInChI=1S/C11H11FN2S/c1-7-6-10(14-11(15)13-7)8-2-4-9(12)5-3-8/h2-6,10H,1H3,(H2,13,14,15)
InChIKeyVCEZKAIEWQQXRM-UHFFFAOYSA-N
XLogP2.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-6-methyl-3,4-dihydro-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione?
The IUPAC name of 4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione (CID 122188611) is 4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione.
What is the SMILES notation for 4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione?
The canonical SMILES for 4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione is CC1=CC(c2ccc(F)cc2)NC(=S)N1.
What is the InChIKey of 4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione?
The InChIKey is VCEZKAIEWQQXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-7-6-10(14-11(15)13-7)8-2-4-9(12)5-3-8/h2-6,10H,1H3,(H2,13,14,15).
What are the key properties of 4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione?
4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione has a molecular weight of 222.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione is sourced from PubChem (CID 122188611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).