piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine

C13H19N5O — CID 87952852

IUPACpiperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine
SMILESO=C=C1CNCCN1.c1cnc(N2CCCC2)nc1
InChIInChI=1S/C8H11N3.C5H8N2O/c1-2-7-11(6-1)8-9-4-3-5-10-8;8-4-5-3-6-1-2-7-5/h3-5H,1-2,6-7H2;6-7H,1-3H2
InChIKeyHXBLJOWYLQPDKA-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.03
Rot. Bonds1

About piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine

piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine (PubChem CID 87952852) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Namepiperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine
PubChem CID87952852
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Namepiperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine
SMILESO=C=C1CNCCN1.c1cnc(N2CCCC2)nc1
InChIInChI=1S/C8H11N3.C5H8N2O/c1-2-7-11(6-1)8-9-4-3-5-10-8;8-4-5-3-6-1-2-7-5/h3-5H,1-2,6-7H2;6-7H,1-3H2
InChIKeyHXBLJOWYLQPDKA-UHFFFAOYSA-N
XLogP-0.03
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine (CID 87952852) is piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine is O=C=C1CNCCN1.c1cnc(N2CCCC2)nc1.
What is the InChIKey of piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine?
The InChIKey is HXBLJOWYLQPDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.C5H8N2O/c1-2-7-11(6-1)8-9-4-3-5-10-8;8-4-5-3-6-1-2-7-5/h3-5H,1-2,6-7H2;6-7H,1-3H2.
What are the key properties of piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine?
piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine has a molecular weight of 261.33 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 87952852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).