ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate

C11H15FN4O2 — CID 10264288

IUPACethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H15FN4O2/c1-2-18-11(17)16-5-3-15(4-6-16)10-13-7-9(12)8-14-10/h7-8H,2-6H2,1H3
InChIKeyPJVLCHDAXDWQHZ-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.89
Rot. Bonds2

About ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate

ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate (PubChem CID 10264288) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
PubChem CID10264288
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Nameethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H15FN4O2/c1-2-18-11(17)16-5-3-15(4-6-16)10-13-7-9(12)8-14-10/h7-8H,2-6H2,1H3
InChIKeyPJVLCHDAXDWQHZ-UHFFFAOYSA-N
XLogP0.89
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate 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 ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate (CID 10264288) is ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate?
The InChIKey is PJVLCHDAXDWQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-2-18-11(17)16-5-3-15(4-6-16)10-13-7-9(12)8-14-10/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate?
ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate has a molecular weight of 254.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 10264288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).