3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol

C8H9BrClN3O — CID 79073506

IUPAC3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol
SMILESOC1CC(Nc2nc(Cl)ncc2Br)C1
InChIInChI=1S/C8H9BrClN3O/c9-6-3-11-8(10)13-7(6)12-4-1-5(14)2-4/h3-5,14H,1-2H2,(H,11,12,13)
InChIKeyAFVZPGJQBONZLG-UHFFFAOYSA-N
MW278.54 g/mol
LogP1.83
Rot. Bonds2

About 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol

3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol (PubChem CID 79073506) has the molecular formula C8H9BrClN3O and a molecular weight of 278.54 g/mol. Its IUPAC name is 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol
PubChem CID79073506
Molecular FormulaC8H9BrClN3O
Molecular Weight278.54 g/mol
Exact Mass276.96
IUPAC Name3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol
SMILESOC1CC(Nc2nc(Cl)ncc2Br)C1
InChIInChI=1S/C8H9BrClN3O/c9-6-3-11-8(10)13-7(6)12-4-1-5(14)2-4/h3-5,14H,1-2H2,(H,11,12,13)
InChIKeyAFVZPGJQBONZLG-UHFFFAOYSA-N
XLogP1.83
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.54
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol (CID 79073506) is 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol is OC1CC(Nc2nc(Cl)ncc2Br)C1.
What is the InChIKey of 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol?
The InChIKey is AFVZPGJQBONZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3O/c9-6-3-11-8(10)13-7(6)12-4-1-5(14)2-4/h3-5,14H,1-2H2,(H,11,12,13).
What are the key properties of 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol?
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol has a molecular weight of 278.54 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 79073506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).