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

C14H11F3N2S — CID 71221502

IUPAC6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
SMILESCC1Cc2c(ncnc2-c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C14H11F3N2S/c1-8-5-11-12(18-7-19-13(11)20-8)9-3-2-4-10(6-9)14(15,16)17/h2-4,6-8H,5H2,1H3
InChIKeyVAJSGUVMANVQKH-UHFFFAOYSA-N
MW296.32 g/mol
LogP4.20
Rot. Bonds1

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

6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine (PubChem CID 71221502) has the molecular formula C14H11F3N2S and a molecular weight of 296.32 g/mol. Its IUPAC name is 6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
PubChem CID71221502
Molecular FormulaC14H11F3N2S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
SMILESCC1Cc2c(ncnc2-c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C14H11F3N2S/c1-8-5-11-12(18-7-19-13(11)20-8)9-3-2-4-10(6-9)14(15,16)17/h2-4,6-8H,5H2,1H3
InChIKeyVAJSGUVMANVQKH-UHFFFAOYSA-N
XLogP4.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine (CID 71221502) is 6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine is CC1Cc2c(ncnc2-c2cccc(C(F)(F)F)c2)S1.
What is the InChIKey of 6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
The InChIKey is VAJSGUVMANVQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2S/c1-8-5-11-12(18-7-19-13(11)20-8)9-3-2-4-10(6-9)14(15,16)17/h2-4,6-8H,5H2,1H3.
What are the key properties of 6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine has a molecular weight of 296.32 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine is sourced from PubChem (CID 71221502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).