5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine

C16H24N6O2 — CID 19921687

IUPAC5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine
SMILESCCOc1cncnc1.CCOc1cncnc1N1CCNCC1
InChIInChI=1S/C10H16N4O.C6H8N2O/c1-2-15-9-7-12-8-13-10(9)14-5-3-11-4-6-14;1-2-9-6-3-7-5-8-4-6/h7-8,11H,2-6H2,1H3;3-5H,2H2,1H3
InChIKeyCUEUPZLRQHWQNG-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.16
Rot. Bonds5

About 5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine

5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine (PubChem CID 19921687) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine.

Molecular Properties

Compound Name5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine
PubChem CID19921687
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine
SMILESCCOc1cncnc1.CCOc1cncnc1N1CCNCC1
InChIInChI=1S/C10H16N4O.C6H8N2O/c1-2-15-9-7-12-8-13-10(9)14-5-3-11-4-6-14;1-2-9-6-3-7-5-8-4-6/h7-8,11H,2-6H2,1H3;3-5H,2H2,1H3
InChIKeyCUEUPZLRQHWQNG-UHFFFAOYSA-N
XLogP1.16
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine?
The IUPAC name of 5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine (CID 19921687) is 5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine.
What is the SMILES notation for 5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine?
The canonical SMILES for 5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine is CCOc1cncnc1.CCOc1cncnc1N1CCNCC1.
What is the InChIKey of 5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine?
The InChIKey is CUEUPZLRQHWQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.C6H8N2O/c1-2-15-9-7-12-8-13-10(9)14-5-3-11-4-6-14;1-2-9-6-3-7-5-8-4-6/h7-8,11H,2-6H2,1H3;3-5H,2H2,1H3.
What are the key properties of 5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine?
5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine has a molecular weight of 332.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine is sourced from PubChem (CID 19921687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).