2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine

C19H17FN2OS — CID 126390846

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine
SMILESCOc1ccc(-c2cc(C)nc(SCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2OS/c1-13-11-18(15-5-9-17(23-2)10-6-15)22-19(21-13)24-12-14-3-7-16(20)8-4-14/h3-11H,12H2,1-2H3
InChIKeyRYFLDISJDDHLBX-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.89
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine

2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine (PubChem CID 126390846) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine
PubChem CID126390846
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine
SMILESCOc1ccc(-c2cc(C)nc(SCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2OS/c1-13-11-18(15-5-9-17(23-2)10-6-15)22-19(21-13)24-12-14-3-7-16(20)8-4-14/h3-11H,12H2,1-2H3
InChIKeyRYFLDISJDDHLBX-UHFFFAOYSA-N
XLogP4.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine (CID 126390846) is 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine is COc1ccc(-c2cc(C)nc(SCc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine?
The InChIKey is RYFLDISJDDHLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-13-11-18(15-5-9-17(23-2)10-6-15)22-19(21-13)24-12-14-3-7-16(20)8-4-14/h3-11H,12H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine?
2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine has a molecular weight of 340.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methylpyrimidine is sourced from PubChem (CID 126390846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).