4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine

C14H16N2OS2 — CID 2200378

IUPAC4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine
SMILESCSc1nc(C)cc(SCCOc2ccccc2)n1
InChIInChI=1S/C14H16N2OS2/c1-11-10-13(16-14(15-11)18-2)19-9-8-17-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
InChIKeyYXAUTBGJYQMWAK-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.68
Rot. Bonds6

About 4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine

4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine (PubChem CID 2200378) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine
PubChem CID2200378
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine
SMILESCSc1nc(C)cc(SCCOc2ccccc2)n1
InChIInChI=1S/C14H16N2OS2/c1-11-10-13(16-14(15-11)18-2)19-9-8-17-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
InChIKeyYXAUTBGJYQMWAK-UHFFFAOYSA-N
XLogP3.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine?
The IUPAC name of 4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine (CID 2200378) is 4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine?
The canonical SMILES for 4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine is CSc1nc(C)cc(SCCOc2ccccc2)n1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine?
The InChIKey is YXAUTBGJYQMWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-11-10-13(16-14(15-11)18-2)19-9-8-17-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine?
4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine has a molecular weight of 292.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-6-(2-phenoxyethylsulfanyl)pyrimidine is sourced from PubChem (CID 2200378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).