N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

C20H20F3N5S — CID 133310478

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(CNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)N1CCc2sccc2C1
InChIInChI=1S/C20H20F3N5S/c1-13(28-8-4-16-15(12-28)5-9-29-16)11-25-18-10-17(20(21,22)23)26-19(27-18)14-2-6-24-7-3-14/h2-3,5-7,9-10,13H,4,8,11-12H2,1H3,(H,25,26,27)
InChIKeyLBJQJOPVRFZYPP-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.48
Rot. Bonds5

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133310478) has the molecular formula C20H20F3N5S and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133310478
Molecular FormulaC20H20F3N5S
Molecular Weight419.48 g/mol
Exact Mass419.14
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(CNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)N1CCc2sccc2C1
InChIInChI=1S/C20H20F3N5S/c1-13(28-8-4-16-15(12-28)5-9-29-16)11-25-18-10-17(20(21,22)23)26-19(27-18)14-2-6-24-7-3-14/h2-3,5-7,9-10,13H,4,8,11-12H2,1H3,(H,25,26,27)
InChIKeyLBJQJOPVRFZYPP-UHFFFAOYSA-N
XLogP4.48
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)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 N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133310478) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is CC(CNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)N1CCc2sccc2C1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LBJQJOPVRFZYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5S/c1-13(28-8-4-16-15(12-28)5-9-29-16)11-25-18-10-17(20(21,22)23)26-19(27-18)14-2-6-24-7-3-14/h2-3,5-7,9-10,13H,4,8,11-12H2,1H3,(H,25,26,27).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 419.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133310478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).