4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine

C15H8F6N2OS2 — CID 54203622

IUPAC4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine
SMILESCc1cc(Oc2csc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)s2)n1
InChIInChI=1S/C15H8F6N2OS2/c1-7-4-12(24-8-5-11(25-6-8)15(19,20)21)23-13(22-7)9-2-3-10(26-9)14(16,17)18/h2-6H,1H3
InChIKeyPQZBJUDZWWGUHK-UHFFFAOYSA-N
MW410.36 g/mol
LogP6.40
Rot. Bonds3

About 4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine

4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine (PubChem CID 54203622) has the molecular formula C15H8F6N2OS2 and a molecular weight of 410.36 g/mol. Its IUPAC name is 4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine.

Molecular Properties

Compound Name4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine
PubChem CID54203622
Molecular FormulaC15H8F6N2OS2
Molecular Weight410.36 g/mol
Exact Mass410.00
IUPAC Name4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine
SMILESCc1cc(Oc2csc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)s2)n1
InChIInChI=1S/C15H8F6N2OS2/c1-7-4-12(24-8-5-11(25-6-8)15(19,20)21)23-13(22-7)9-2-3-10(26-9)14(16,17)18/h2-6H,1H3
InChIKeyPQZBJUDZWWGUHK-UHFFFAOYSA-N
XLogP6.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine?
The IUPAC name of 4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine (CID 54203622) is 4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine.
What is the SMILES notation for 4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine?
The canonical SMILES for 4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine is Cc1cc(Oc2csc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)s2)n1.
What is the InChIKey of 4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine?
The InChIKey is PQZBJUDZWWGUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2OS2/c1-7-4-12(24-8-5-11(25-6-8)15(19,20)21)23-13(22-7)9-2-3-10(26-9)14(16,17)18/h2-6H,1H3.
What are the key properties of 4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine?
4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine has a molecular weight of 410.36 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine is sourced from PubChem (CID 54203622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).