ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate

C11H16N4O2 — CID 90194836

IUPACethyl 5-piperazin-1-ylpyrimidine-2-carboxylate
SMILESCCOC(=O)c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C11H16N4O2/c1-2-17-11(16)10-13-7-9(8-14-10)15-5-3-12-4-6-15/h7-8,12H,2-6H2,1H3
InChIKeyDYRSWEHCJFVCOX-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.06
Rot. Bonds3

About ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate

ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate (PubChem CID 90194836) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-piperazin-1-ylpyrimidine-2-carboxylate
PubChem CID90194836
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Nameethyl 5-piperazin-1-ylpyrimidine-2-carboxylate
SMILESCCOC(=O)c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C11H16N4O2/c1-2-17-11(16)10-13-7-9(8-14-10)15-5-3-12-4-6-15/h7-8,12H,2-6H2,1H3
InChIKeyDYRSWEHCJFVCOX-UHFFFAOYSA-N
XLogP0.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate (CID 90194836) is ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate is CCOC(=O)c1ncc(N2CCNCC2)cn1.
What is the InChIKey of ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate?
The InChIKey is DYRSWEHCJFVCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-17-11(16)10-13-7-9(8-14-10)15-5-3-12-4-6-15/h7-8,12H,2-6H2,1H3.
What are the key properties of ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate?
ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate is sourced from PubChem (CID 90194836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).