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

C13H12FN3O3 — CID 59126942

IUPAC6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid
SMILESCOc1c(N)nc(-c2ccc(C)cc2F)nc1C(=O)O
InChIInChI=1S/C13H12FN3O3/c1-6-3-4-7(8(14)5-6)12-16-9(13(18)19)10(20-2)11(15)17-12/h3-5H,1-2H3,(H,18,19)(H2,15,16,17)
InChIKeyUKCFYLXVWKAWBY-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.88
Rot. Bonds3

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

6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid (PubChem CID 59126942) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid
PubChem CID59126942
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid
SMILESCOc1c(N)nc(-c2ccc(C)cc2F)nc1C(=O)O
InChIInChI=1S/C13H12FN3O3/c1-6-3-4-7(8(14)5-6)12-16-9(13(18)19)10(20-2)11(15)17-12/h3-5H,1-2H3,(H,18,19)(H2,15,16,17)
InChIKeyUKCFYLXVWKAWBY-UHFFFAOYSA-N
XLogP1.88
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 59126899
CID 59126899
CID 59126907
CID 59126907
CID 59126911
CID 59126911
CID 59126913
CID 59126913
CID 59126914
CID 59126914
CID 59126915
CID 59126915
CID 59126918
CID 59126918
CID 59126920
CID 59126920
CID 59126924
CID 59126924
CID 59126929
CID 59126929
CID 59126934
CID 59126934
CID 59126937
CID 59126937

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid (CID 59126942) is 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid is COc1c(N)nc(-c2ccc(C)cc2F)nc1C(=O)O.
What is the InChIKey of 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid?
The InChIKey is UKCFYLXVWKAWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-6-3-4-7(8(14)5-6)12-16-9(13(18)19)10(20-2)11(15)17-12/h3-5H,1-2H3,(H,18,19)(H2,15,16,17).
What are the key properties of 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid?
6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid has a molecular weight of 277.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 59126942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).