1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride

C8H11BrClN3 — CID 131964195

IUPAC1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ncc(Br)cn2)CCC1
InChIInChI=1S/C8H10BrN3.ClH/c9-6-4-11-7(12-5-6)8(10)2-1-3-8;/h4-5H,1-3,10H2;1H
InChIKeyIBOMWMINBOPRRQ-UHFFFAOYSA-N
MW264.55 g/mol
LogP2.00
Rot. Bonds1

About 1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride

1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride (PubChem CID 131964195) has the molecular formula C8H11BrClN3 and a molecular weight of 264.55 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride
PubChem CID131964195
Molecular FormulaC8H11BrClN3
Molecular Weight264.55 g/mol
Exact Mass262.98
IUPAC Name1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ncc(Br)cn2)CCC1
InChIInChI=1S/C8H10BrN3.ClH/c9-6-4-11-7(12-5-6)8(10)2-1-3-8;/h4-5H,1-3,10H2;1H
InChIKeyIBOMWMINBOPRRQ-UHFFFAOYSA-N
XLogP2.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclobutylpyrimidin-5-amine
CID 49758794
(5-Bromopyrimidin-2-yl)methanamine
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1-(5-Bromopyrimidin-2-yl)ethan-1-amine
CID 63317417
1-(5-Bromopyrimidin-2-yl)cyclopropan-1-amine
CID 66968254
(5-Bromopyrimidin-2-yl)methanamine hydrochloride
CID 72710399
2-(5-Bromopyrimidin-2-yl)propan-2-amine hydrochloride
CID 132398769
5-Bromopyrimidine-2-carboximidamide hydrochloride
CID 146636463
5-Bromo-2-chloro-N-cyclopentyl-4-pyrimidinamine
CID 44248247
5-Bromo-N-tert-butylpyrimidin-2-amine
CID 46739548
5-Bromo-2-(pyrrolidin-2-yl)pyrimidine hydrochloride
CID 132300834
5-Bromo-2-(piperidin-3-yl)pyrimidine dihydrochloride
CID 132300864
1-(5-Bromopyrimidin-2-yl)ethan-1-amine hydrochloride
CID 137965954

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride (CID 131964195) is 1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride is Cl.NC1(c2ncc(Br)cn2)CCC1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride?
The InChIKey is IBOMWMINBOPRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3.ClH/c9-6-4-11-7(12-5-6)8(10)2-1-3-8;/h4-5H,1-3,10H2;1H.
What are the key properties of 1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride?
1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride has a molecular weight of 264.55 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 131964195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).