5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine

C8H9BrClN3 — CID 141412385

IUPAC5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine
SMILESNc1nc(Cl)c(Br)c(C2CCC2)n1
InChIInChI=1S/C8H9BrClN3/c9-5-6(4-2-1-3-4)12-8(11)13-7(5)10/h4H,1-3H2,(H2,11,12,13)
InChIKeyKDZPEOJVVGMPPY-UHFFFAOYSA-N
MW262.54 g/mol
LogP2.74
Rot. Bonds1

About 5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine

5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine (PubChem CID 141412385) has the molecular formula C8H9BrClN3 and a molecular weight of 262.54 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine
PubChem CID141412385
Molecular FormulaC8H9BrClN3
Molecular Weight262.54 g/mol
Exact Mass260.97
IUPAC Name5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine
SMILESNc1nc(Cl)c(Br)c(C2CCC2)n1
InChIInChI=1S/C8H9BrClN3/c9-5-6(4-2-1-3-4)12-8(11)13-7(5)10/h4H,1-3H2,(H2,11,12,13)
InChIKeyKDZPEOJVVGMPPY-UHFFFAOYSA-N
XLogP2.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.54
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine (CID 141412385) is 5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine is Nc1nc(Cl)c(Br)c(C2CCC2)n1.
What is the InChIKey of 5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine?
The InChIKey is KDZPEOJVVGMPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3/c9-5-6(4-2-1-3-4)12-8(11)13-7(5)10/h4H,1-3H2,(H2,11,12,13).
What are the key properties of 5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine?
5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine has a molecular weight of 262.54 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-cyclobutylpyrimidin-2-amine is sourced from PubChem (CID 141412385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).