6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine

C22H14F3N5S — CID 18382989

IUPAC6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccn(-c2ccc(Nc3ncnc4cc(-c5ccccc5)sc34)cc2)n1
InChIInChI=1S/C22H14F3N5S/c23-22(24,25)19-10-11-30(29-19)16-8-6-15(7-9-16)28-21-20-17(26-13-27-21)12-18(31-20)14-4-2-1-3-5-14/h1-13H,(H,26,27,28)
InChIKeyROMUDFLTLHOPIV-UHFFFAOYSA-N
MW437.45 g/mol
LogP6.31
Rot. Bonds4

About 6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine

6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 18382989) has the molecular formula C22H14F3N5S and a molecular weight of 437.45 g/mol. Its IUPAC name is 6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID18382989
Molecular FormulaC22H14F3N5S
Molecular Weight437.45 g/mol
Exact Mass437.09
IUPAC Name6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccn(-c2ccc(Nc3ncnc4cc(-c5ccccc5)sc34)cc2)n1
InChIInChI=1S/C22H14F3N5S/c23-22(24,25)19-10-11-30(29-19)16-8-6-15(7-9-16)28-21-20-17(26-13-27-21)12-18(31-20)14-4-2-1-3-5-14/h1-13H,(H,26,27,28)
InChIKeyROMUDFLTLHOPIV-UHFFFAOYSA-N
XLogP6.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.45
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-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 6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine (CID 18382989) is 6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine is FC(F)(F)c1ccn(-c2ccc(Nc3ncnc4cc(-c5ccccc5)sc34)cc2)n1.
What is the InChIKey of 6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ROMUDFLTLHOPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5S/c23-22(24,25)19-10-11-30(29-19)16-8-6-15(7-9-16)28-21-20-17(26-13-27-21)12-18(31-20)14-4-2-1-3-5-14/h1-13H,(H,26,27,28).
What are the key properties of 6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine?
6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 437.45 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18382989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).