4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine

C13H21FN4O — CID 80806454

IUPAC4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCCC(OCC)C2)n1
InChIInChI=1S/C13H21FN4O/c1-3-15-13-16-8-11(14)12(17-13)18-7-5-6-10(9-18)19-4-2/h8,10H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyPVZZYIBTJZPAIE-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.05
Rot. Bonds5

About 4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine

4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 80806454) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID80806454
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCCC(OCC)C2)n1
InChIInChI=1S/C13H21FN4O/c1-3-15-13-16-8-11(14)12(17-13)18-7-5-6-10(9-18)19-4-2/h8,10H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyPVZZYIBTJZPAIE-UHFFFAOYSA-N
XLogP2.05
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-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 4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine (CID 80806454) is 4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(N2CCCC(OCC)C2)n1.
What is the InChIKey of 4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is PVZZYIBTJZPAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-3-15-13-16-8-11(14)12(17-13)18-7-5-6-10(9-18)19-4-2/h8,10H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 268.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80806454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).