2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid

C10H11BrN2O2 — CID 83852901

IUPAC2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(C2CCC2)nc(Br)n1
InChIInChI=1S/C10H11BrN2O2/c11-10-12-7(5-9(14)15)4-8(13-10)6-2-1-3-6/h4,6H,1-3,5H2,(H,14,15)
InChIKeyAXKGEHRGRHKEND-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.13
Rot. Bonds3

About 2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid

2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid (PubChem CID 83852901) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid
PubChem CID83852901
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(C2CCC2)nc(Br)n1
InChIInChI=1S/C10H11BrN2O2/c11-10-12-7(5-9(14)15)4-8(13-10)6-2-1-3-6/h4,6H,1-3,5H2,(H,14,15)
InChIKeyAXKGEHRGRHKEND-UHFFFAOYSA-N
XLogP2.13
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid (CID 83852901) is 2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid is O=C(O)Cc1cc(C2CCC2)nc(Br)n1.
What is the InChIKey of 2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid?
The InChIKey is AXKGEHRGRHKEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-10-12-7(5-9(14)15)4-8(13-10)6-2-1-3-6/h4,6H,1-3,5H2,(H,14,15).
What are the key properties of 2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid?
2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid has a molecular weight of 271.11 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).