N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C23H23FN4OS — CID 58117591

IUPACN-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4ccccc4)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C23H23FN4OS/c24-18-7-4-8-19(15-18)25-22-21-20(11-14-30(21)29)26-23(27-22)28-12-9-17(10-13-28)16-5-2-1-3-6-16/h1-8,15,17H,9-14H2,(H,25,26,27)
InChIKeyVMIKTIVYUWSCJQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.41
Rot. Bonds4

About N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 58117591) has the molecular formula C23H23FN4OS and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID58117591
Molecular FormulaC23H23FN4OS
Molecular Weight422.53 g/mol
Exact Mass422.16
IUPAC NameN-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4ccccc4)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C23H23FN4OS/c24-18-7-4-8-19(15-18)25-22-21-20(11-14-30(21)29)26-23(27-22)28-12-9-17(10-13-28)16-5-2-1-3-6-16/h1-8,15,17H,9-14H2,(H,25,26,27)
InChIKeyVMIKTIVYUWSCJQ-UHFFFAOYSA-N
XLogP4.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[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 N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 58117591) is N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=S1CCc2nc(N3CCC(c4ccccc4)CC3)nc(Nc3cccc(F)c3)c21.
What is the InChIKey of N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is VMIKTIVYUWSCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4OS/c24-18-7-4-8-19(15-18)25-22-21-20(11-14-30(21)29)26-23(27-22)28-12-9-17(10-13-28)16-5-2-1-3-6-16/h1-8,15,17H,9-14H2,(H,25,26,27).
What are the key properties of N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 422.53 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 58117591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).