4-cyclobutyl-5-piperazin-1-ylpyrimidine

C12H18N4 — CID 117211014

IUPAC4-cyclobutyl-5-piperazin-1-ylpyrimidine
SMILESc1ncc(N2CCNCC2)c(C2CCC2)n1
InChIInChI=1S/C12H18N4/c1-2-10(3-1)12-11(8-14-9-15-12)16-6-4-13-5-7-16/h8-10,13H,1-7H2
InChIKeyUMZFXLRRVMYMIG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.15
Rot. Bonds2

About 4-cyclobutyl-5-piperazin-1-ylpyrimidine

4-cyclobutyl-5-piperazin-1-ylpyrimidine (PubChem CID 117211014) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-cyclobutyl-5-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-cyclobutyl-5-piperazin-1-ylpyrimidine
PubChem CID117211014
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-cyclobutyl-5-piperazin-1-ylpyrimidine
SMILESc1ncc(N2CCNCC2)c(C2CCC2)n1
InChIInChI=1S/C12H18N4/c1-2-10(3-1)12-11(8-14-9-15-12)16-6-4-13-5-7-16/h8-10,13H,1-7H2
InChIKeyUMZFXLRRVMYMIG-UHFFFAOYSA-N
XLogP1.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine
CID 117211621
4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine
CID 117211662
2-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117212418
4-phenyl-5-piperazin-1-ylpyrimidine
CID 59511159
2-(5-piperazin-1-ylpyrimidin-4-yl)phenol
CID 136934499
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211247
2-piperazin-1-yl-1,3,5-triazine
CID 2760673
4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine
CID 117211239
2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol
CID 136934525
4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine
CID 117211492
5-piperazin-1-ylpyrimidine;hydrochloride
CID 69201469
5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 67539377

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-5-piperazin-1-ylpyrimidine?
The IUPAC name of 4-cyclobutyl-5-piperazin-1-ylpyrimidine (CID 117211014) is 4-cyclobutyl-5-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-cyclobutyl-5-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-cyclobutyl-5-piperazin-1-ylpyrimidine is c1ncc(N2CCNCC2)c(C2CCC2)n1.
What is the InChIKey of 4-cyclobutyl-5-piperazin-1-ylpyrimidine?
The InChIKey is UMZFXLRRVMYMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-10(3-1)12-11(8-14-9-15-12)16-6-4-13-5-7-16/h8-10,13H,1-7H2.
What are the key properties of 4-cyclobutyl-5-piperazin-1-ylpyrimidine?
4-cyclobutyl-5-piperazin-1-ylpyrimidine has a molecular weight of 218.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-5-piperazin-1-ylpyrimidine is sourced from PubChem (CID 117211014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).