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

C6H10N2S — CID 55286542

IUPAC4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC1=CC(C)NC(=S)N1
InChIInChI=1S/C6H10N2S/c1-4-3-5(2)8-6(9)7-4/h3-4H,1-2H3,(H2,7,8,9)
InChIKeyPLEIXYLXBXBXLS-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.76
Rot. Bonds

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

4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione (PubChem CID 55286542) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione
PubChem CID55286542
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC1=CC(C)NC(=S)N1
InChIInChI=1S/C6H10N2S/c1-4-3-5(2)8-6(9)7-4/h3-4H,1-2H3,(H2,7,8,9)
InChIKeyPLEIXYLXBXBXLS-UHFFFAOYSA-N
XLogP0.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-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 4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione?
The IUPAC name of 4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione (CID 55286542) is 4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione.
What is the SMILES notation for 4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione?
The canonical SMILES for 4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione is CC1=CC(C)NC(=S)N1.
What is the InChIKey of 4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione?
The InChIKey is PLEIXYLXBXBXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-4-3-5(2)8-6(9)7-4/h3-4H,1-2H3,(H2,7,8,9).
What are the key properties of 4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione?
4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione has a molecular weight of 142.23 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione is sourced from PubChem (CID 55286542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).