N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine

C19H22FN5S — CID 133294022

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1N1CCN(CCCNc2ncnc3sccc23)CC1
InChIInChI=1S/C19H22FN5S/c20-16-4-1-2-5-17(16)25-11-9-24(10-12-25)8-3-7-21-18-15-6-13-26-19(15)23-14-22-18/h1-2,4-6,13-14H,3,7-12H2,(H,21,22,23)
InChIKeyNVMHQWIXGJLUDO-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.45
Rot. Bonds6

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133294022) has the molecular formula C19H22FN5S and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133294022
Molecular FormulaC19H22FN5S
Molecular Weight371.49 g/mol
Exact Mass371.16
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1N1CCN(CCCNc2ncnc3sccc23)CC1
InChIInChI=1S/C19H22FN5S/c20-16-4-1-2-5-17(16)25-11-9-24(10-12-25)8-3-7-21-18-15-6-13-26-19(15)23-14-22-18/h1-2,4-6,13-14H,3,7-12H2,(H,21,22,23)
InChIKeyNVMHQWIXGJLUDO-UHFFFAOYSA-N
XLogP3.45
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]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 N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine (CID 133294022) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine is Fc1ccccc1N1CCN(CCCNc2ncnc3sccc23)CC1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NVMHQWIXGJLUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5S/c20-16-4-1-2-5-17(16)25-11-9-24(10-12-25)8-3-7-21-18-15-6-13-26-19(15)23-14-22-18/h1-2,4-6,13-14H,3,7-12H2,(H,21,22,23).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 371.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133294022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).