2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione

C11H11N3S — CID 106520464

IUPAC2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
SMILESCc1cncc(-c2cc(=S)nc(C)[nH]2)c1
InChIInChI=1S/C11H11N3S/c1-7-3-9(6-12-5-7)10-4-11(15)14-8(2)13-10/h3-6H,1-2H3,(H,13,14,15)
InChIKeySMZRHRTWOZMXKH-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.82
Rot. Bonds1

About 2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione

2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione (PubChem CID 106520464) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
PubChem CID106520464
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
SMILESCc1cncc(-c2cc(=S)nc(C)[nH]2)c1
InChIInChI=1S/C11H11N3S/c1-7-3-9(6-12-5-7)10-4-11(15)14-8(2)13-10/h3-6H,1-2H3,(H,13,14,15)
InChIKeySMZRHRTWOZMXKH-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-methyl-6-(5-methyl-3-pyridinyl)-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-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione (CID 106520464) is 2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione is Cc1cncc(-c2cc(=S)nc(C)[nH]2)c1.
What is the InChIKey of 2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione?
The InChIKey is SMZRHRTWOZMXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-7-3-9(6-12-5-7)10-4-11(15)14-8(2)13-10/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione?
2-methyl-6-(5-methyl-3-pyridinyl)-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-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106520464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).