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

C14H10ClF3N2S — CID 89386286

IUPAC2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
SMILESCC1Cc2c(nc(Cl)nc2-c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C14H10ClF3N2S/c1-7-5-10-11(19-13(15)20-12(10)21-7)8-3-2-4-9(6-8)14(16,17)18/h2-4,6-7H,5H2,1H3
InChIKeyXTBOWULIIBRYPU-UHFFFAOYSA-N
MW330.76 g/mol
LogP4.85
Rot. Bonds1

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

2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine (PubChem CID 89386286) has the molecular formula C14H10ClF3N2S and a molecular weight of 330.76 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
PubChem CID89386286
Molecular FormulaC14H10ClF3N2S
Molecular Weight330.76 g/mol
Exact Mass330.02
IUPAC Name2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
SMILESCC1Cc2c(nc(Cl)nc2-c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C14H10ClF3N2S/c1-7-5-10-11(19-13(15)20-12(10)21-7)8-3-2-4-9(6-8)14(16,17)18/h2-4,6-7H,5H2,1H3
InChIKeyXTBOWULIIBRYPU-UHFFFAOYSA-N
XLogP4.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine (CID 89386286) is 2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine is CC1Cc2c(nc(Cl)nc2-c2cccc(C(F)(F)F)c2)S1.
What is the InChIKey of 2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
The InChIKey is XTBOWULIIBRYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2S/c1-7-5-10-11(19-13(15)20-12(10)21-7)8-3-2-4-9(6-8)14(16,17)18/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine has a molecular weight of 330.76 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine is sourced from PubChem (CID 89386286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).