butane;2-piperazin-1-ylpyrimidine

C12H22N4 — CID 144912345

IUPACbutane;2-piperazin-1-ylpyrimidine
SMILESCCCC.c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H12N4.C4H10/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-3-4-2/h1-3,9H,4-7H2;3-4H2,1-2H3
InChIKeyOFBVLKKXSBXATA-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.69
Rot. Bonds2

About butane;2-piperazin-1-ylpyrimidine

butane;2-piperazin-1-ylpyrimidine (PubChem CID 144912345) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is butane;2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Namebutane;2-piperazin-1-ylpyrimidine
PubChem CID144912345
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Namebutane;2-piperazin-1-ylpyrimidine
SMILESCCCC.c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H12N4.C4H10/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-3-4-2/h1-3,9H,4-7H2;3-4H2,1-2H3
InChIKeyOFBVLKKXSBXATA-UHFFFAOYSA-N
XLogP1.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

heptane;2-piperazin-1-ylpyrimidine
CID 144585904
CID 161419574
CID 161419574
piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride
CID 174800980
butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 171070118
2-piperazin-1-yl-1,3,5-triazine
CID 2760673
3-piperazin-1-yl-1-propylpyrazin-2-one
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5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine
CID 117224212
2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine
CID 174801084
5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride
CID 118022265
2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323
5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
CID 145233053

Frequently Asked Questions

What is the IUPAC name of butane;2-piperazin-1-ylpyrimidine?
The IUPAC name of butane;2-piperazin-1-ylpyrimidine (CID 144912345) is butane;2-piperazin-1-ylpyrimidine.
What is the SMILES notation for butane;2-piperazin-1-ylpyrimidine?
The canonical SMILES for butane;2-piperazin-1-ylpyrimidine is CCCC.c1cnc(N2CCNCC2)nc1.
What is the InChIKey of butane;2-piperazin-1-ylpyrimidine?
The InChIKey is OFBVLKKXSBXATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.C4H10/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-3-4-2/h1-3,9H,4-7H2;3-4H2,1-2H3.
What are the key properties of butane;2-piperazin-1-ylpyrimidine?
butane;2-piperazin-1-ylpyrimidine has a molecular weight of 222.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 144912345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).