4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione

C18H16N2S — CID 12981945

IUPAC4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione
SMILESCc1cc(-c2ccccc2)n(-c2ccccc2C)c(=S)n1
InChIInChI=1S/C18H16N2S/c1-13-8-6-7-11-16(13)20-17(12-14(2)19-18(20)21)15-9-4-3-5-10-15/h3-12H,1-2H3
InChIKeyRKNGDIGWZBNFPK-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.89
Rot. Bonds2

About 4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione

4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione (PubChem CID 12981945) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione.

Molecular Properties

Compound Name4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione
PubChem CID12981945
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC Name4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione
SMILESCc1cc(-c2ccccc2)n(-c2ccccc2C)c(=S)n1
InChIInChI=1S/C18H16N2S/c1-13-8-6-7-11-16(13)20-17(12-14(2)19-18(20)21)15-9-4-3-5-10-15/h3-12H,1-2H3
InChIKeyRKNGDIGWZBNFPK-UHFFFAOYSA-N
XLogP4.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione?
The IUPAC name of 4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione (CID 12981945) is 4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione.
What is the SMILES notation for 4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione?
The canonical SMILES for 4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione is Cc1cc(-c2ccccc2)n(-c2ccccc2C)c(=S)n1.
What is the InChIKey of 4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione?
The InChIKey is RKNGDIGWZBNFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c1-13-8-6-7-11-16(13)20-17(12-14(2)19-18(20)21)15-9-4-3-5-10-15/h3-12H,1-2H3.
What are the key properties of 4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione?
4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione has a molecular weight of 292.41 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2-thione is sourced from PubChem (CID 12981945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).