2-cyclobutyl-5-piperazin-1-ylpyrimidine

C12H18N4 — CID 117212418

IUPAC2-cyclobutyl-5-piperazin-1-ylpyrimidine
SMILESc1nc(C2CCC2)ncc1N1CCNCC1
InChIInChI=1S/C12H18N4/c1-2-10(3-1)12-14-8-11(9-15-12)16-6-4-13-5-7-16/h8-10,13H,1-7H2
InChIKeyISSKZEUMVZLSDR-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.15
Rot. Bonds2

About 2-cyclobutyl-5-piperazin-1-ylpyrimidine

2-cyclobutyl-5-piperazin-1-ylpyrimidine (PubChem CID 117212418) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-cyclobutyl-5-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name2-cyclobutyl-5-piperazin-1-ylpyrimidine
PubChem CID117212418
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-cyclobutyl-5-piperazin-1-ylpyrimidine
SMILESc1nc(C2CCC2)ncc1N1CCNCC1
InChIInChI=1S/C12H18N4/c1-2-10(3-1)12-14-8-11(9-15-12)16-6-4-13-5-7-16/h8-10,13H,1-7H2
InChIKeyISSKZEUMVZLSDR-UHFFFAOYSA-N
XLogP1.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclobutylpyrimidin-5-yl)piperidin-4-amine
CID 117212262
4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine
CID 117211621
3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine
CID 116824028
1-(6-cyclopentyloxy-3-pyridinyl)piperazine
CID 68513271
5-piperazin-1-yl-2-propan-2-ylpyrimidine
CID 84674611
4-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117211014
5-piperazin-1-ylpyrimidine;hydrochloride
CID 69201469
1-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine
CID 163230421
2-cyclopentyl-4,6-dimethyl-5-piperazin-1-ylpyrimidine
CID 117212544
1-(6-fluoro-3-pyridinyl)-1,4-diazepane
CID 45116239
1-(6-bromo-3-pyridinyl)-1,4-diazepane
CID 10131290
1-(1-cyclopropylpyrazol-4-yl)piperazine
CID 84772475

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-piperazin-1-ylpyrimidine?
The IUPAC name of 2-cyclobutyl-5-piperazin-1-ylpyrimidine (CID 117212418) is 2-cyclobutyl-5-piperazin-1-ylpyrimidine.
What is the SMILES notation for 2-cyclobutyl-5-piperazin-1-ylpyrimidine?
The canonical SMILES for 2-cyclobutyl-5-piperazin-1-ylpyrimidine is c1nc(C2CCC2)ncc1N1CCNCC1.
What is the InChIKey of 2-cyclobutyl-5-piperazin-1-ylpyrimidine?
The InChIKey is ISSKZEUMVZLSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-10(3-1)12-14-8-11(9-15-12)16-6-4-13-5-7-16/h8-10,13H,1-7H2.
What are the key properties of 2-cyclobutyl-5-piperazin-1-ylpyrimidine?
2-cyclobutyl-5-piperazin-1-ylpyrimidine has a molecular weight of 218.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-piperazin-1-ylpyrimidine is sourced from PubChem (CID 117212418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).