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

C9H12BrN3O2 — CID 83845150

IUPAC2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid
SMILESCc1nc(C)c(Br)c(N(C)CC(=O)O)n1
InChIInChI=1S/C9H12BrN3O2/c1-5-8(10)9(12-6(2)11-5)13(3)4-7(14)15/h4H2,1-3H3,(H,14,15)
InChIKeyRMLRDAXCZBKNMW-UHFFFAOYSA-N
MW274.12 g/mol
LogP1.38
Rot. Bonds3

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

2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid (PubChem CID 83845150) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid
PubChem CID83845150
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid
SMILESCc1nc(C)c(Br)c(N(C)CC(=O)O)n1
InChIInChI=1S/C9H12BrN3O2/c1-5-8(10)9(12-6(2)11-5)13(3)4-7(14)15/h4H2,1-3H3,(H,14,15)
InChIKeyRMLRDAXCZBKNMW-UHFFFAOYSA-N
XLogP1.38
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid (CID 83845150) is 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid is Cc1nc(C)c(Br)c(N(C)CC(=O)O)n1.
What is the InChIKey of 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid?
The InChIKey is RMLRDAXCZBKNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-5-8(10)9(12-6(2)11-5)13(3)4-7(14)15/h4H2,1-3H3,(H,14,15).
What are the key properties of 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid?
2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid has a molecular weight of 274.12 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 83845150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).