2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine

C15H24N4 — CID 170175295

IUPAC2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(N2CCN(C3CCC3)CC2)n1
InChIInChI=1S/C15H24N4/c1-12(2)14-6-7-16-15(17-14)19-10-8-18(9-11-19)13-4-3-5-13/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyWZYMWRSOTZBRKN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.27
Rot. Bonds3

About 2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine

2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine (PubChem CID 170175295) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine
PubChem CID170175295
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(N2CCN(C3CCC3)CC2)n1
InChIInChI=1S/C15H24N4/c1-12(2)14-6-7-16-15(17-14)19-10-8-18(9-11-19)13-4-3-5-13/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyWZYMWRSOTZBRKN-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
CID 83838028
ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine
CID 170581392
[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 126783230
2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine
CID 123528373
(1S,4R)-4-[4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclobut-2-ene-1-carboxylic acid
CID 167786580
2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906689
2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine
CID 136531944
2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 126892620
2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 44827945
4-(4-cyclopentylpiperazin-1-yl)-2-methylpyrimidine
CID 121184719
2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine
CID 115975429
2-(4-chlorophenyl)-N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-3-methylbutanamide
CID 57465531

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine?
The IUPAC name of 2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine (CID 170175295) is 2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine?
The canonical SMILES for 2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine is CC(C)c1ccnc(N2CCN(C3CCC3)CC2)n1.
What is the InChIKey of 2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine?
The InChIKey is WZYMWRSOTZBRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12(2)14-6-7-16-15(17-14)19-10-8-18(9-11-19)13-4-3-5-13/h6-7,12-13H,3-5,8-11H2,1-2H3.
What are the key properties of 2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine?
2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine has a molecular weight of 260.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine is sourced from PubChem (CID 170175295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).