5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione

C12H14N2S — CID 3106651

IUPAC5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC1=C(C)C(c2ccccc2)NC(=S)N1
InChIInChI=1S/C12H14N2S/c1-8-9(2)13-12(15)14-11(8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H2,13,14,15)
InChIKeyLVLSWQUSHVNHNB-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.50
Rot. Bonds1

About 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione

5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione (PubChem CID 3106651) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
PubChem CID3106651
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC1=C(C)C(c2ccccc2)NC(=S)N1
InChIInChI=1S/C12H14N2S/c1-8-9(2)13-12(15)14-11(8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H2,13,14,15)
InChIKeyLVLSWQUSHVNHNB-UHFFFAOYSA-N
XLogP2.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,6-dimethyl-4-phenyl-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 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione?
The IUPAC name of 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione (CID 3106651) is 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione.
What is the SMILES notation for 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione?
The canonical SMILES for 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione is CC1=C(C)C(c2ccccc2)NC(=S)N1.
What is the InChIKey of 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione?
The InChIKey is LVLSWQUSHVNHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-8-9(2)13-12(15)14-11(8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H2,13,14,15).
What are the key properties of 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione?
5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione has a molecular weight of 218.33 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione is sourced from PubChem (CID 3106651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).