5-piperazin-1-yl-2-propan-2-ylpyrimidine

C11H18N4 — CID 84674611

IUPAC5-piperazin-1-yl-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C11H18N4/c1-9(2)11-13-7-10(8-14-11)15-5-3-12-4-6-15/h7-9,12H,3-6H2,1-2H3
InChIKeyZGALRNDRWYASSY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.01
Rot. Bonds2

About 5-piperazin-1-yl-2-propan-2-ylpyrimidine

5-piperazin-1-yl-2-propan-2-ylpyrimidine (PubChem CID 84674611) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-piperazin-1-yl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-piperazin-1-yl-2-propan-2-ylpyrimidine
PubChem CID84674611
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name5-piperazin-1-yl-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C11H18N4/c1-9(2)11-13-7-10(8-14-11)15-5-3-12-4-6-15/h7-9,12H,3-6H2,1-2H3
InChIKeyZGALRNDRWYASSY-UHFFFAOYSA-N
XLogP1.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-2-propan-2-ylpyrimidine?
The IUPAC name of 5-piperazin-1-yl-2-propan-2-ylpyrimidine (CID 84674611) is 5-piperazin-1-yl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 5-piperazin-1-yl-2-propan-2-ylpyrimidine?
The canonical SMILES for 5-piperazin-1-yl-2-propan-2-ylpyrimidine is CC(C)c1ncc(N2CCNCC2)cn1.
What is the InChIKey of 5-piperazin-1-yl-2-propan-2-ylpyrimidine?
The InChIKey is ZGALRNDRWYASSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9(2)11-13-7-10(8-14-11)15-5-3-12-4-6-15/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 5-piperazin-1-yl-2-propan-2-ylpyrimidine?
5-piperazin-1-yl-2-propan-2-ylpyrimidine has a molecular weight of 206.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 84674611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).