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

C17H14F6N2OS — CID 89386264

IUPAC6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
SMILESCC1Cc2c(nc(COCC(F)(F)F)nc2-c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C17H14F6N2OS/c1-9-5-12-14(10-3-2-4-11(6-10)17(21,22)23)24-13(25-15(12)27-9)7-26-8-16(18,19)20/h2-4,6,9H,5,7-8H2,1H3
InChIKeyOLHPCFVMKZSHJR-UHFFFAOYSA-N
MW408.37 g/mol
LogP5.28
Rot. Bonds4

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

6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine (PubChem CID 89386264) has the molecular formula C17H14F6N2OS and a molecular weight of 408.37 g/mol. Its IUPAC name is 6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
PubChem CID89386264
Molecular FormulaC17H14F6N2OS
Molecular Weight408.37 g/mol
Exact Mass408.07
IUPAC Name6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
SMILESCC1Cc2c(nc(COCC(F)(F)F)nc2-c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C17H14F6N2OS/c1-9-5-12-14(10-3-2-4-11(6-10)17(21,22)23)24-13(25-15(12)27-9)7-26-8-16(18,19)20/h2-4,6,9H,5,7-8H2,1H3
InChIKeyOLHPCFVMKZSHJR-UHFFFAOYSA-N
XLogP5.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol
CID 2035984
4-[4-Fluoro-3-(trifluoromethyl)phenyl]-6-methyl-2-propoxythieno[2,3-d]pyrimidine
CID 57517966
6-Methyl-2-[(2,2,2-trifluoroethoxy)methyl]-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine
CID 57517973
Ethyl 6-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-2-carboxylate
CID 57517981
6-Methyl-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
CID 71221498
6-Methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine-2-carboxylic acid
CID 71221501
6-Methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
CID 71221502
2-Chloro-6-methyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
CID 89386266
2-Chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
CID 89386286
Methyl (2-phenyl-6-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinyl)methyl ether
CID 1479484
4-Methylsulfanyl-6-phenyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 85642598
2-Propoxy-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine
CID 85959711

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine (CID 89386264) is 6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine is CC1Cc2c(nc(COCC(F)(F)F)nc2-c2cccc(C(F)(F)F)c2)S1.
What is the InChIKey of 6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
The InChIKey is OLHPCFVMKZSHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2OS/c1-9-5-12-14(10-3-2-4-11(6-10)17(21,22)23)24-13(25-15(12)27-9)7-26-8-16(18,19)20/h2-4,6,9H,5,7-8H2,1H3.
What are the key properties of 6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine?
6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine has a molecular weight of 408.37 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine is sourced from PubChem (CID 89386264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).