4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine

C17H15N3S — CID 2725934

IUPAC4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESCc1ccc(Sc2cc(C)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H15N3S/c1-12-6-8-14(9-7-12)21-16-11-13(2)19-17(20-16)15-5-3-4-10-18-15/h3-11H,1-2H3
InChIKeyVFRVPSXUIPASJT-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.31
Rot. Bonds3

About 4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine

4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine (PubChem CID 2725934) has the molecular formula C17H15N3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
PubChem CID2725934
Molecular FormulaC17H15N3S
Molecular Weight293.39 g/mol
Exact Mass293.10
IUPAC Name4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESCc1ccc(Sc2cc(C)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H15N3S/c1-12-6-8-14(9-7-12)21-16-11-13(2)19-17(20-16)15-5-3-4-10-18-15/h3-11H,1-2H3
InChIKeyVFRVPSXUIPASJT-UHFFFAOYSA-N
XLogP4.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine (CID 2725934) is 4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine is Cc1ccc(Sc2cc(C)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The InChIKey is VFRVPSXUIPASJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-12-6-8-14(9-7-12)21-16-11-13(2)19-17(20-16)15-5-3-4-10-18-15/h3-11H,1-2H3.
What are the key properties of 4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine has a molecular weight of 293.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 2725934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).