2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride

C10H18Cl2N4 — CID 18698026

IUPAC2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCCc1nccc(N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C10H16N4.2ClH/c1-2-9-12-4-3-10(13-9)14-7-5-11-6-8-14;;/h3-4,11H,2,5-8H2,1H3;2*1H
InChIKeyVAKUCRDGGVEANT-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.29
Rot. Bonds2

About 2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride

2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride (PubChem CID 18698026) has the molecular formula C10H18Cl2N4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride
PubChem CID18698026
Molecular FormulaC10H18Cl2N4
Molecular Weight265.19 g/mol
Exact Mass264.09
IUPAC Name2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCCc1nccc(N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C10H16N4.2ClH/c1-2-9-12-4-3-10(13-9)14-7-5-11-6-8-14;;/h3-4,11H,2,5-8H2,1H3;2*1H
InChIKeyVAKUCRDGGVEANT-UHFFFAOYSA-N
XLogP1.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride?
The IUPAC name of 2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride (CID 18698026) is 2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride?
The canonical SMILES for 2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride is CCc1nccc(N2CCNCC2)n1.Cl.Cl.
What is the InChIKey of 2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride?
The InChIKey is VAKUCRDGGVEANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.2ClH/c1-2-9-12-4-3-10(13-9)14-7-5-11-6-8-14;;/h3-4,11H,2,5-8H2,1H3;2*1H.
What are the key properties of 2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride?
2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride has a molecular weight of 265.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride is sourced from PubChem (CID 18698026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).