5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

C19H19F3N4S — CID 1039211

IUPAC5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1C
InChIInChI=1S/C19H19F3N4S/c1-12-13(2)27-18-16(12)17(23-11-24-18)26-8-6-25(7-9-26)15-5-3-4-14(10-15)19(20,21)22/h3-5,10-11H,6-9H2,1-2H3
InChIKeyQZXQEKOJVMKGQV-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.65
Rot. Bonds2

About 5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 1039211) has the molecular formula C19H19F3N4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID1039211
Molecular FormulaC19H19F3N4S
Molecular Weight392.45 g/mol
Exact Mass392.13
IUPAC Name5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1C
InChIInChI=1S/C19H19F3N4S/c1-12-13(2)27-18-16(12)17(23-11-24-18)26-8-6-25(7-9-26)15-5-3-4-14(10-15)19(20,21)22/h3-5,10-11H,6-9H2,1-2H3
InChIKeyQZXQEKOJVMKGQV-UHFFFAOYSA-N
XLogP4.65
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[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

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 1039211) is 5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is Cc1sc2ncnc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1C.
What is the InChIKey of 5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is QZXQEKOJVMKGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4S/c1-12-13(2)27-18-16(12)17(23-11-24-18)26-8-6-25(7-9-26)15-5-3-4-14(10-15)19(20,21)22/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 392.45 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 1039211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).