2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid

C10H13BrN2O2 — CID 83852916

IUPAC2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid
SMILESCC(C)(C)c1cc(CC(=O)O)nc(Br)n1
InChIInChI=1S/C10H13BrN2O2/c1-10(2,3)7-4-6(5-8(14)15)12-9(11)13-7/h4H,5H2,1-3H3,(H,14,15)
InChIKeyARGFLSLTWWXKIZ-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.16
Rot. Bonds2

About 2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid

2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid (PubChem CID 83852916) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid
PubChem CID83852916
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid
SMILESCC(C)(C)c1cc(CC(=O)O)nc(Br)n1
InChIInChI=1S/C10H13BrN2O2/c1-10(2,3)7-4-6(5-8(14)15)12-9(11)13-7/h4H,5H2,1-3H3,(H,14,15)
InChIKeyARGFLSLTWWXKIZ-UHFFFAOYSA-N
XLogP2.16
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid
CID 83852195
2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid
CID 83852529
2-(6-amino-2-bromopyrimidin-4-yl)acetic acid
CID 83852589
2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852863
2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid
CID 83852901
2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid
CID 83852877
2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 118800091
2-(4,6-dimethyl-2-pyridinyl)acetic acid
CID 23339817
2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
CID 82449826
2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid
CID 83831200
6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid
CID 82184140
2-(2-tert-butyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271556

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid (CID 83852916) is 2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid is CC(C)(C)c1cc(CC(=O)O)nc(Br)n1.
What is the InChIKey of 2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid?
The InChIKey is ARGFLSLTWWXKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-10(2,3)7-4-6(5-8(14)15)12-9(11)13-7/h4H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid?
2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid has a molecular weight of 273.13 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).