4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine

C13H22N4O — CID 135278992

IUPAC4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine
SMILESCC(C)(C)COc1ccnc(N2CCNCC2)n1
InChIInChI=1S/C13H22N4O/c1-13(2,3)10-18-11-4-5-15-12(16-11)17-8-6-14-7-9-17/h4-5,14H,6-10H2,1-3H3
InChIKeyQAPUQCPATBWHBQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.31
Rot. Bonds3

About 4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine

4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine (PubChem CID 135278992) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine
PubChem CID135278992
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine
SMILESCC(C)(C)COc1ccnc(N2CCNCC2)n1
InChIInChI=1S/C13H22N4O/c1-13(2,3)10-18-11-4-5-15-12(16-11)17-8-6-14-7-9-17/h4-5,14H,6-10H2,1-3H3
InChIKeyQAPUQCPATBWHBQ-UHFFFAOYSA-N
XLogP1.31
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine (CID 135278992) is 4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine is CC(C)(C)COc1ccnc(N2CCNCC2)n1.
What is the InChIKey of 4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine?
The InChIKey is QAPUQCPATBWHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,3)10-18-11-4-5-15-12(16-11)17-8-6-14-7-9-17/h4-5,14H,6-10H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine?
4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine has a molecular weight of 250.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 135278992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).