2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid

C9H11BrN2O2 — CID 83852863

IUPAC2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid
SMILESCC(C)c1cc(CC(=O)O)nc(Br)n1
InChIInChI=1S/C9H11BrN2O2/c1-5(2)7-3-6(4-8(13)14)11-9(10)12-7/h3,5H,4H2,1-2H3,(H,13,14)
InChIKeyNSBSGJXMERBSOY-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.99
Rot. Bonds3

About 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid

2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid (PubChem CID 83852863) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid
PubChem CID83852863
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid
SMILESCC(C)c1cc(CC(=O)O)nc(Br)n1
InChIInChI=1S/C9H11BrN2O2/c1-5(2)7-3-6(4-8(13)14)11-9(10)12-7/h3,5H,4H2,1-2H3,(H,13,14)
InChIKeyNSBSGJXMERBSOY-UHFFFAOYSA-N
XLogP1.99
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-amino-2-bromopyrimidin-4-yl)acetic acid
CID 83852589
2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid
CID 83852916
2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271650
2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid
CID 83852901
2-(2-propan-2-ylquinolin-4-yl)acetic acid
CID 82081543
2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83864259
2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130070460
2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid
CID 83852877
2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid
CID 174767599
2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 118800091
2-(4,6-dimethyl-2-pyridinyl)acetic acid
CID 23339817
2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 119015163

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid (CID 83852863) is 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid is CC(C)c1cc(CC(=O)O)nc(Br)n1.
What is the InChIKey of 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid?
The InChIKey is NSBSGJXMERBSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-5(2)7-3-6(4-8(13)14)11-9(10)12-7/h3,5H,4H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid?
2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid has a molecular weight of 259.10 g/mol, XLogP of 1.99, 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-propan-2-ylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).