6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine

C15H13F3N2S2 — CID 71221498

IUPAC6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
SMILESCSc1nc2c(c(-c3ccc(C(F)(F)F)cc3)n1)CC(C)S2
InChIInChI=1S/C15H13F3N2S2/c1-8-7-11-12(19-14(21-2)20-13(11)22-8)9-3-5-10(6-4-9)15(16,17)18/h3-6,8H,7H2,1-2H3
InChIKeyIZCBGXRAELUKJS-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.92
Rot. Bonds2

About 6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine

6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine (PubChem CID 71221498) has the molecular formula C15H13F3N2S2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
PubChem CID71221498
Molecular FormulaC15H13F3N2S2
Molecular Weight342.41 g/mol
Exact Mass342.05
IUPAC Name6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
SMILESCSc1nc2c(c(-c3ccc(C(F)(F)F)cc3)n1)CC(C)S2
InChIInChI=1S/C15H13F3N2S2/c1-8-7-11-12(19-14(21-2)20-13(11)22-8)9-3-5-10(6-4-9)15(16,17)18/h3-6,8H,7H2,1-2H3
InChIKeyIZCBGXRAELUKJS-UHFFFAOYSA-N
XLogP4.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine (CID 71221498) is 6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine is CSc1nc2c(c(-c3ccc(C(F)(F)F)cc3)n1)CC(C)S2.
What is the InChIKey of 6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
The InChIKey is IZCBGXRAELUKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2S2/c1-8-7-11-12(19-14(21-2)20-13(11)22-8)9-3-5-10(6-4-9)15(16,17)18/h3-6,8H,7H2,1-2H3.
What are the key properties of 6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine has a molecular weight of 342.41 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine is sourced from PubChem (CID 71221498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).