4,5,6-trimethyl-2-piperazin-1-ylpyrimidine

C11H18N4 — CID 15132531

IUPAC4,5,6-trimethyl-2-piperazin-1-ylpyrimidine
SMILESCc1nc(N2CCNCC2)nc(C)c1C
InChIInChI=1S/C11H18N4/c1-8-9(2)13-11(14-10(8)3)15-6-4-12-5-7-15/h12H,4-7H2,1-3H3
InChIKeyLOQWTXSIQRICMZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.81
Rot. Bonds1

About 4,5,6-trimethyl-2-piperazin-1-ylpyrimidine

4,5,6-trimethyl-2-piperazin-1-ylpyrimidine (PubChem CID 15132531) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4,5,6-trimethyl-2-piperazin-1-ylpyrimidine
PubChem CID15132531
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4,5,6-trimethyl-2-piperazin-1-ylpyrimidine
SMILESCc1nc(N2CCNCC2)nc(C)c1C
InChIInChI=1S/C11H18N4/c1-8-9(2)13-11(14-10(8)3)15-6-4-12-5-7-15/h12H,4-7H2,1-3H3
InChIKeyLOQWTXSIQRICMZ-UHFFFAOYSA-N
XLogP0.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4,5,6-trimethyl-2-piperazin-1-ylpyrimidine (CID 15132531) is 4,5,6-trimethyl-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4,5,6-trimethyl-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4,5,6-trimethyl-2-piperazin-1-ylpyrimidine is Cc1nc(N2CCNCC2)nc(C)c1C.
What is the InChIKey of 4,5,6-trimethyl-2-piperazin-1-ylpyrimidine?
The InChIKey is LOQWTXSIQRICMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-9(2)13-11(14-10(8)3)15-6-4-12-5-7-15/h12H,4-7H2,1-3H3.
What are the key properties of 4,5,6-trimethyl-2-piperazin-1-ylpyrimidine?
4,5,6-trimethyl-2-piperazin-1-ylpyrimidine has a molecular weight of 206.29 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 15132531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).