2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine

C18H16N2OS — CID 977763

IUPAC2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine
SMILESCc1cc(Oc2ccccc2)nc(SCc2ccccc2)n1
InChIInChI=1S/C18H16N2OS/c1-14-12-17(21-16-10-6-3-7-11-16)20-18(19-14)22-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3
InChIKeyCFDFJYLDBMVHKH-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.87
Rot. Bonds5

About 2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine

2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine (PubChem CID 977763) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine.

Molecular Properties

Compound Name2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine
PubChem CID977763
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine
SMILESCc1cc(Oc2ccccc2)nc(SCc2ccccc2)n1
InChIInChI=1S/C18H16N2OS/c1-14-12-17(21-16-10-6-3-7-11-16)20-18(19-14)22-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3
InChIKeyCFDFJYLDBMVHKH-UHFFFAOYSA-N
XLogP4.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine?
The IUPAC name of 2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine (CID 977763) is 2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine.
What is the SMILES notation for 2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine?
The canonical SMILES for 2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine is Cc1cc(Oc2ccccc2)nc(SCc2ccccc2)n1.
What is the InChIKey of 2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine?
The InChIKey is CFDFJYLDBMVHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-14-12-17(21-16-10-6-3-7-11-16)20-18(19-14)22-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3.
What are the key properties of 2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine?
2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine has a molecular weight of 308.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-methyl-6-phenoxypyrimidine is sourced from PubChem (CID 977763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).