2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid

C11H8FN3O2 — CID 28799560

IUPAC2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESNc1nc(C(=O)O)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H8FN3O2/c12-7-3-1-6(2-4-7)8-5-9(10(16)17)15-11(13)14-8/h1-5H,(H,16,17)(H2,13,14,15)
InChIKeyNWDDJIRRYVIEOH-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.56
Rot. Bonds2

About 2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid

2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 28799560) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid
PubChem CID28799560
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESNc1nc(C(=O)O)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H8FN3O2/c12-7-3-1-6(2-4-7)8-5-9(10(16)17)15-11(13)14-8/h1-5H,(H,16,17)(H2,13,14,15)
InChIKeyNWDDJIRRYVIEOH-UHFFFAOYSA-N
XLogP1.56
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid
CID 28799538
2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid
CID 82049589
CID 175798578
CID 175798578
2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
CID 54850447
4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine
CID 14545360
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
3-fluoro-6-(4-fluorophenyl)pyridine-2-carboxylic acid
CID 46313905
6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid
CID 125488527
2-amino-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxylic acid
CID 68760205
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 53430507
2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 54850290

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid (CID 28799560) is 2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid is Nc1nc(C(=O)O)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is NWDDJIRRYVIEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-7-3-1-6(2-4-7)8-5-9(10(16)17)15-11(13)14-8/h1-5H,(H,16,17)(H2,13,14,15).
What are the key properties of 2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid?
2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 233.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 28799560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).