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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Related Compounds

4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 112638748
4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 66195619
4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
CID 141073558
(2R)-1-(2,2-dimethylpropoxy)-3-[4-[5-[4-[4-(2,2-dimethylpropoxy)pyrimidin-2-yl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]piperazin-1-yl]propan-2-ol
CID 138657280
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine
CID 22248824
2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
CID 121204945
5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 105459172
methyl 2-piperazin-1-ylpyrimidine-4-carboxylate
CID 131596703
2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine
CID 82994740
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 94672451

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).