5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine

C13H22N4 — CID 117224212

IUPAC5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine
SMILESCC(C)(C)Cc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C13H22N4/c1-13(2,3)8-11-9-15-12(16-10-11)17-6-4-14-5-7-17/h9-10,14H,4-8H2,1-3H3
InChIKeyYYACXWAXOZDNQK-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.47
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine

5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine (PubChem CID 117224212) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine
PubChem CID117224212
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine
SMILESCC(C)(C)Cc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C13H22N4/c1-13(2,3)8-11-9-15-12(16-10-11)17-6-4-14-5-7-17/h9-10,14H,4-8H2,1-3H3
InChIKeyYYACXWAXOZDNQK-UHFFFAOYSA-N
XLogP1.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine
CID 166010053
2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
CID 145233053
5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride
CID 118022265
butane;2-piperazin-1-ylpyrimidine
CID 144912345
2-[(2-piperazin-1-ylpyrimidin-5-yl)methyl]phenol
CID 117224221
1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine
CID 117210022
2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol
CID 118022920
1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride
CID 154810154
2-piperazin-1-yl-1,3,5-triazine
CID 2760673
5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine
CID 117224214

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine (CID 117224212) is 5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine is CC(C)(C)Cc1cnc(N2CCNCC2)nc1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine?
The InChIKey is YYACXWAXOZDNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-13(2,3)8-11-9-15-12(16-10-11)17-6-4-14-5-7-17/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine?
5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine has a molecular weight of 234.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 117224212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).