5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine

C11H17FN4O — CID 104606342

IUPAC5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
SMILESFc1cnc(NCCOC2CCNCC2)nc1
InChIInChI=1S/C11H17FN4O/c12-9-7-15-11(16-8-9)14-5-6-17-10-1-3-13-4-2-10/h7-8,10,13H,1-6H2,(H,14,15,16)
InChIKeyZUEZARCUDNWFGC-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.80
Rot. Bonds5

About 5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine

5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine (PubChem CID 104606342) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
PubChem CID104606342
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
SMILESFc1cnc(NCCOC2CCNCC2)nc1
InChIInChI=1S/C11H17FN4O/c12-9-7-15-11(16-8-9)14-5-6-17-10-1-3-13-4-2-10/h7-8,10,13H,1-6H2,(H,14,15,16)
InChIKeyZUEZARCUDNWFGC-UHFFFAOYSA-N
XLogP0.80
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-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 5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine (CID 104606342) is 5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine is Fc1cnc(NCCOC2CCNCC2)nc1.
What is the InChIKey of 5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
The InChIKey is ZUEZARCUDNWFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c12-9-7-15-11(16-8-9)14-5-6-17-10-1-3-13-4-2-10/h7-8,10,13H,1-6H2,(H,14,15,16).
What are the key properties of 5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine has a molecular weight of 240.28 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 104606342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).