2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione

C11H11N3S — CID 106515530

IUPAC2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)c(C)c(-c2ccncc2)[nH]1
InChIInChI=1S/C11H11N3S/c1-7-10(9-3-5-12-6-4-9)13-8(2)14-11(7)15/h3-6H,1-2H3,(H,13,14,15)
InChIKeyYIGNWMLILKVKPM-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.82
Rot. Bonds1

About 2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione

2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione (PubChem CID 106515530) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione
PubChem CID106515530
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)c(C)c(-c2ccncc2)[nH]1
InChIInChI=1S/C11H11N3S/c1-7-10(9-3-5-12-6-4-9)13-8(2)14-11(7)15/h3-6H,1-2H3,(H,13,14,15)
InChIKeyYIGNWMLILKVKPM-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-6-pyridin-4-yl-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 2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione (CID 106515530) is 2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione is Cc1nc(=S)c(C)c(-c2ccncc2)[nH]1.
What is the InChIKey of 2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione?
The InChIKey is YIGNWMLILKVKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-7-10(9-3-5-12-6-4-9)13-8(2)14-11(7)15/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione?
2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione has a molecular weight of 217.30 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106515530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).