5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine

C19H12F3N3OS — CID 2420107

IUPAC5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)26-14-8-6-13(7-9-14)25-17-16-15(12-4-2-1-3-5-12)10-27-18(16)24-11-23-17/h1-11H,(H,23,24,25)
InChIKeyVMSHDVFUQJMORI-UHFFFAOYSA-N
MW387.39 g/mol
LogP6.00
Rot. Bonds4

About 5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine

5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2420107) has the molecular formula C19H12F3N3OS and a molecular weight of 387.39 g/mol. Its IUPAC name is 5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID2420107
Molecular FormulaC19H12F3N3OS
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC Name5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)26-14-8-6-13(7-9-14)25-17-16-15(12-4-2-1-3-5-12)10-27-18(16)24-11-23-17/h1-11H,(H,23,24,25)
InChIKeyVMSHDVFUQJMORI-UHFFFAOYSA-N
XLogP6.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine 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-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine (CID 2420107) is 5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)Oc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of 5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VMSHDVFUQJMORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3OS/c20-19(21,22)26-14-8-6-13(7-9-14)25-17-16-15(12-4-2-1-3-5-12)10-27-18(16)24-11-23-17/h1-11H,(H,23,24,25).
What are the key properties of 5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 387.39 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2420107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).