5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine

C15H11F3N2OS — CID 166634115

IUPAC5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Oc3ccccc3C(F)(F)F)c2c1C
InChIInChI=1S/C15H11F3N2OS/c1-8-9(2)22-14-12(8)13(19-7-20-14)21-11-6-4-3-5-10(11)15(16,17)18/h3-7H,1-2H3
InChIKeyTZVRJPLSUCEJHV-UHFFFAOYSA-N
MW324.33 g/mol
LogP5.12
Rot. Bonds2

About 5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine

5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine (PubChem CID 166634115) has the molecular formula C15H11F3N2OS and a molecular weight of 324.33 g/mol. Its IUPAC name is 5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
PubChem CID166634115
Molecular FormulaC15H11F3N2OS
Molecular Weight324.33 g/mol
Exact Mass324.05
IUPAC Name5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Oc3ccccc3C(F)(F)F)c2c1C
InChIInChI=1S/C15H11F3N2OS/c1-8-9(2)22-14-12(8)13(19-7-20-14)21-11-6-4-3-5-10(11)15(16,17)18/h3-7H,1-2H3
InChIKeyTZVRJPLSUCEJHV-UHFFFAOYSA-N
XLogP5.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.33
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 114323825
4-[4-[2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2238945
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
CID 60870662
5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
CID 2400033
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline
CID 63599367
4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine
CID 166626936
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 18267648
1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone
CID 112776121
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 78906950
4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2484158
1-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanone
CID 9212485
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9108843

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine (CID 166634115) is 5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine is Cc1sc2ncnc(Oc3ccccc3C(F)(F)F)c2c1C.
What is the InChIKey of 5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine?
The InChIKey is TZVRJPLSUCEJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2OS/c1-8-9(2)22-14-12(8)13(19-7-20-14)21-11-6-4-3-5-10(11)15(16,17)18/h3-7H,1-2H3.
What are the key properties of 5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine has a molecular weight of 324.33 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 166634115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).