2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone

C14H20BrN5O — CID 79844040

IUPAC2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESNC1(CC(=O)N2CCN(c3ncc(Br)cn3)CC2)CCC1
InChIInChI=1S/C14H20BrN5O/c15-11-9-17-13(18-10-11)20-6-4-19(5-7-20)12(21)8-14(16)2-1-3-14/h9-10H,1-8,16H2
InChIKeyRLXYPHWXJCEBIL-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.16
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone

2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 79844040) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID79844040
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESNC1(CC(=O)N2CCN(c3ncc(Br)cn3)CC2)CCC1
InChIInChI=1S/C14H20BrN5O/c15-11-9-17-13(18-10-11)20-6-4-19(5-7-20)12(21)8-14(16)2-1-3-14/h9-10H,1-8,16H2
InChIKeyRLXYPHWXJCEBIL-UHFFFAOYSA-N
XLogP1.16
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azetidin-3-yl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone
CID 64610567
2-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 115586809
2-(2-aminoethoxy)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone
CID 79472992
4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
CID 47252261
[4-(5-bromopyrimidin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499067
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 111331567
1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 46454717
1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]but-2-en-1-one
CID 78968098
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63143756
1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 59559568
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 103813525

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone (CID 79844040) is 2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone is NC1(CC(=O)N2CCN(c3ncc(Br)cn3)CC2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is RLXYPHWXJCEBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c15-11-9-17-13(18-10-11)20-6-4-19(5-7-20)12(21)8-14(16)2-1-3-14/h9-10H,1-8,16H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone?
2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 354.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 79844040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).