4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid

C12H9BrFN3O2 — CID 107924801

IUPAC4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2cc(F)ccc2Br)nc(N)c1C(=O)O
InChIInChI=1S/C12H9BrFN3O2/c1-5-9(12(18)19)10(15)17-11(16-5)7-4-6(14)2-3-8(7)13/h2-4H,1H3,(H,18,19)(H2,15,16,17)
InChIKeyXXTGVWWVZWJYEK-UHFFFAOYSA-N
MW326.13 g/mol
LogP2.63
Rot. Bonds2

About 4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid

4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid (PubChem CID 107924801) has the molecular formula C12H9BrFN3O2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
PubChem CID107924801
Molecular FormulaC12H9BrFN3O2
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2cc(F)ccc2Br)nc(N)c1C(=O)O
InChIInChI=1S/C12H9BrFN3O2/c1-5-9(12(18)19)10(15)17-11(16-5)7-4-6(14)2-3-8(7)13/h2-4H,1H3,(H,18,19)(H2,15,16,17)
InChIKeyXXTGVWWVZWJYEK-UHFFFAOYSA-N
XLogP2.63
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 107923864
2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine
CID 114016371
2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107923912
2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405049
2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 107924270
4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 155338271
4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid
CID 114879069
3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 107924268
2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid
CID 107924229
2-(2-bromo-5-fluorophenyl)-6-phenylpyrimidin-4-amine
CID 107923936
2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine
CID 107924005
2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
CID 55067572

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid (CID 107924801) is 4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid is Cc1nc(-c2cc(F)ccc2Br)nc(N)c1C(=O)O.
What is the InChIKey of 4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is XXTGVWWVZWJYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O2/c1-5-9(12(18)19)10(15)17-11(16-5)7-4-6(14)2-3-8(7)13/h2-4H,1H3,(H,18,19)(H2,15,16,17).
What are the key properties of 4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 326.13 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 107924801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).