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

C23H22F2N4O2S — CID 58117752

IUPAC2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(Oc4ccc(F)cc4)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C23H22F2N4O2S/c24-15-4-6-18(7-5-15)31-19-8-11-29(12-9-19)23-27-20-10-13-32(30)21(20)22(28-23)26-17-3-1-2-16(25)14-17/h1-7,14,19H,8-13H2,(H,26,27,28)
InChIKeyKHGHWEQHXGFHOS-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.21
Rot. Bonds5

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

2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 58117752) has the molecular formula C23H22F2N4O2S and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID58117752
Molecular FormulaC23H22F2N4O2S
Molecular Weight456.52 g/mol
Exact Mass456.14
IUPAC Name2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(Oc4ccc(F)cc4)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C23H22F2N4O2S/c24-15-4-6-18(7-5-15)31-19-8-11-29(12-9-19)23-27-20-10-13-32(30)21(20)22(28-23)26-17-3-1-2-16(25)14-17/h1-7,14,19H,8-13H2,(H,26,27,28)
InChIKeyKHGHWEQHXGFHOS-UHFFFAOYSA-N
XLogP4.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-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 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 58117752) is 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=S1CCc2nc(N3CCC(Oc4ccc(F)cc4)CC3)nc(Nc3cccc(F)c3)c21.
What is the InChIKey of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is KHGHWEQHXGFHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2S/c24-15-4-6-18(7-5-15)31-19-8-11-29(12-9-19)23-27-20-10-13-32(30)21(20)22(28-23)26-17-3-1-2-16(25)14-17/h1-7,14,19H,8-13H2,(H,26,27,28).
What are the key properties of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 456.52 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 58117752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).