6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid

C12H9ClFN3O2 — CID 67047973

IUPAC6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
SMILESCc1ccc(-c2nc(N)c(Cl)c(C(=O)O)n2)c(F)c1
InChIInChI=1S/C12H9ClFN3O2/c1-5-2-3-6(7(14)4-5)11-16-9(12(18)19)8(13)10(15)17-11/h2-4H,1H3,(H,18,19)(H2,15,16,17)
InChIKeyAAGKVNOXJKWAHU-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.52
Rot. Bonds2

About 6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid

6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid (PubChem CID 67047973) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is 6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
PubChem CID67047973
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC Name6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
SMILESCc1ccc(-c2nc(N)c(Cl)c(C(=O)O)n2)c(F)c1
InChIInChI=1S/C12H9ClFN3O2/c1-5-2-3-6(7(14)4-5)11-16-9(12(18)19)8(13)10(15)17-11/h2-4H,1H3,(H,18,19)(H2,15,16,17)
InChIKeyAAGKVNOXJKWAHU-UHFFFAOYSA-N
XLogP2.52
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-chloro-2-(4-chloro-2,3-difluorophenyl)pyrimidine-4-carboxylic acid
CID 67048731
6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
CID 53229212
methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate
CID 90440255
6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid
CID 83868984
6-amino-5-ethenyl-2-[2-fluoro-4-(methylamino)phenyl]pyrimidine-4-carboxylic acid
CID 123549540
6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83872138
methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258
4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 68598483
4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid
CID 53226619
4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
CID 22677524
6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine
CID 64983529
4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 90440357

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid (CID 67047973) is 6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid is Cc1ccc(-c2nc(N)c(Cl)c(C(=O)O)n2)c(F)c1.
What is the InChIKey of 6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is AAGKVNOXJKWAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c1-5-2-3-6(7(14)4-5)11-16-9(12(18)19)8(13)10(15)17-11/h2-4H,1H3,(H,18,19)(H2,15,16,17).
What are the key properties of 6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid?
6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-2-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 67047973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).