2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid

C8H9BrN2O2 — CID 130679243

IUPAC2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid
SMILESCc1nc(C)c(Br)c(CC(=O)O)n1
InChIInChI=1S/C8H9BrN2O2/c1-4-8(9)6(3-7(12)13)11-5(2)10-4/h3H2,1-2H3,(H,12,13)
InChIKeyPPFLZGIQXSBKJE-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.48
Rot. Bonds2

About 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid

2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid (PubChem CID 130679243) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid
PubChem CID130679243
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid
SMILESCc1nc(C)c(Br)c(CC(=O)O)n1
InChIInChI=1S/C8H9BrN2O2/c1-4-8(9)6(3-7(12)13)11-5(2)10-4/h3H2,1-2H3,(H,12,13)
InChIKeyPPFLZGIQXSBKJE-UHFFFAOYSA-N
XLogP1.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid
CID 83867143
2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid
CID 83845150
2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid
CID 174457480
4,6-diethyl-2-methylpyrimidine-5-carboxylic acid
CID 71434909
2-(2,8-dimethylquinazolin-4-yl)acetic acid
CID 105469517
2-(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)acetic acid
CID 83862859
2-(2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)acetic acid
CID 83862857
3-(carboxymethyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 82468455
2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid
CID 83777548
2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid
CID 83824395
3-(3,5-dimethyl-1,2,4-triazin-6-yl)propanoic acid
CID 82408541
2-[5-bromo-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 145227459

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid (CID 130679243) is 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid is Cc1nc(C)c(Br)c(CC(=O)O)n1.
What is the InChIKey of 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid?
The InChIKey is PPFLZGIQXSBKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-4-8(9)6(3-7(12)13)11-5(2)10-4/h3H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid?
2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid has a molecular weight of 245.08 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 130679243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).