2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid

C13H12BrN3O2 — CID 116895771

IUPAC2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid
SMILESCc1cc(-c2ccccc2Br)nc(C(N)C(=O)O)n1
InChIInChI=1S/C13H12BrN3O2/c1-7-6-10(8-4-2-3-5-9(8)14)17-12(16-7)11(15)13(18)19/h2-6,11H,15H2,1H3,(H,18,19)
InChIKeyGJLQXFNPSUDZBX-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.30
Rot. Bonds3

About 2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid

2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid (PubChem CID 116895771) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid
PubChem CID116895771
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid
SMILESCc1cc(-c2ccccc2Br)nc(C(N)C(=O)O)n1
InChIInChI=1S/C13H12BrN3O2/c1-7-6-10(8-4-2-3-5-9(8)14)17-12(16-7)11(15)13(18)19/h2-6,11H,15H2,1H3,(H,18,19)
InChIKeyGJLQXFNPSUDZBX-UHFFFAOYSA-N
XLogP2.30
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetic acid
CID 116895761
2-bromo-4-(2-bromophenyl)-6-methylpyrimidine
CID 116897341
2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]-3-methylbutanenitrile
CID 116896585
2-amino-2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]acetic acid
CID 116966735
1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
CID 116896707
6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 112562051
2-[4-(2-bromophenyl)pyrimidin-2-yl]butanoic acid
CID 116903020
3-amino-3-(4-methyl-6-phenylpyrimidin-2-yl)propanoic acid
CID 116895914
2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid
CID 68919304
2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
CID 116896346
2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid
CID 116895897
6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 115503725

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid (CID 116895771) is 2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid is Cc1cc(-c2ccccc2Br)nc(C(N)C(=O)O)n1.
What is the InChIKey of 2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid?
The InChIKey is GJLQXFNPSUDZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-7-6-10(8-4-2-3-5-9(8)14)17-12(16-7)11(15)13(18)19/h2-6,11H,15H2,1H3,(H,18,19).
What are the key properties of 2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid?
2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid has a molecular weight of 322.16 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid is sourced from PubChem (CID 116895771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).