2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine

C16H26N4 — CID 66673390

IUPAC2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine
SMILESCC(C)(C)c1nc(C2CCC2)cc(N2CCNCC2)n1
InChIInChI=1S/C16H26N4/c1-16(2,3)15-18-13(12-5-4-6-12)11-14(19-15)20-9-7-17-8-10-20/h11-12,17H,4-10H2,1-3H3
InChIKeyAMEZAFGAGCGHTA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.45
Rot. Bonds2

About 2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine

2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine (PubChem CID 66673390) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine
PubChem CID66673390
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine
SMILESCC(C)(C)c1nc(C2CCC2)cc(N2CCNCC2)n1
InChIInChI=1S/C16H26N4/c1-16(2,3)15-18-13(12-5-4-6-12)11-14(19-15)20-9-7-17-8-10-20/h11-12,17H,4-10H2,1-3H3
InChIKeyAMEZAFGAGCGHTA-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine?
The IUPAC name of 2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine (CID 66673390) is 2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine is CC(C)(C)c1nc(C2CCC2)cc(N2CCNCC2)n1.
What is the InChIKey of 2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine?
The InChIKey is AMEZAFGAGCGHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-16(2,3)15-18-13(12-5-4-6-12)11-14(19-15)20-9-7-17-8-10-20/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine?
2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine has a molecular weight of 274.41 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine is sourced from PubChem (CID 66673390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).