6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione

C12H18N2S — CID 106475665

IUPAC6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCCC(C)C2)[nH]1
InChIInChI=1S/C12H18N2S/c1-8-4-3-5-10(6-8)12-13-9(2)7-11(15)14-12/h7-8,10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyDCMHIWOFVYPSSX-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.74
Rot. Bonds1

About 6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione

6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione (PubChem CID 106475665) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione
PubChem CID106475665
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCCC(C)C2)[nH]1
InChIInChI=1S/C12H18N2S/c1-8-4-3-5-10(6-8)12-13-9(2)7-11(15)14-12/h7-8,10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyDCMHIWOFVYPSSX-UHFFFAOYSA-N
XLogP3.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-2-(3-methylcyclohexyl)-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 6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione (CID 106475665) is 6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C2CCCC(C)C2)[nH]1.
What is the InChIKey of 6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione?
The InChIKey is DCMHIWOFVYPSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-8-4-3-5-10(6-8)12-13-9(2)7-11(15)14-12/h7-8,10H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione?
6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione has a molecular weight of 222.36 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).