ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate

C15H23FN4O2 — CID 130254194

IUPACethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN(c2ncnc(CC)c2F)CC1
InChIInChI=1S/C15H23FN4O2/c1-3-12-14(16)15(18-11-17-12)20-9-7-19(8-10-20)6-5-13(21)22-4-2/h11H,3-10H2,1-2H3
InChIKeyWKENLEQVAWXMMI-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.25
Rot. Bonds6

About ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate

ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate (PubChem CID 130254194) has the molecular formula C15H23FN4O2 and a molecular weight of 310.37 g/mol. Its IUPAC name is ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate
PubChem CID130254194
Molecular FormulaC15H23FN4O2
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC Nameethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN(c2ncnc(CC)c2F)CC1
InChIInChI=1S/C15H23FN4O2/c1-3-12-14(16)15(18-11-17-12)20-9-7-19(8-10-20)6-5-13(21)22-4-2/h11H,3-10H2,1-2H3
InChIKeyWKENLEQVAWXMMI-UHFFFAOYSA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate?
The IUPAC name of ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate (CID 130254194) is ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate is CCOC(=O)CCN1CCN(c2ncnc(CC)c2F)CC1.
What is the InChIKey of ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate?
The InChIKey is WKENLEQVAWXMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O2/c1-3-12-14(16)15(18-11-17-12)20-9-7-19(8-10-20)6-5-13(21)22-4-2/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate?
ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate has a molecular weight of 310.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate is sourced from PubChem (CID 130254194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).