2-amino-4-fluoropyrimidine-5-carboxylic acid

C5H4FN3O2 — CID 90011731

IUPAC2-amino-4-fluoropyrimidine-5-carboxylic acid
SMILESNc1ncc(C(=O)O)c(F)n1
InChIInChI=1S/C5H4FN3O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)(H2,7,8,9)
InChIKeyUJOOOHJASWTYHH-UHFFFAOYSA-N
MW157.10 g/mol
LogP-0.10
Rot. Bonds1

About 2-amino-4-fluoropyrimidine-5-carboxylic acid

2-amino-4-fluoropyrimidine-5-carboxylic acid (PubChem CID 90011731) has the molecular formula C5H4FN3O2 and a molecular weight of 157.10 g/mol. Its IUPAC name is 2-amino-4-fluoropyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-fluoropyrimidine-5-carboxylic acid
PubChem CID90011731
Molecular FormulaC5H4FN3O2
Molecular Weight157.10 g/mol
Exact Mass157.03
IUPAC Name2-amino-4-fluoropyrimidine-5-carboxylic acid
SMILESNc1ncc(C(=O)O)c(F)n1
InChIInChI=1S/C5H4FN3O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)(H2,7,8,9)
InChIKeyUJOOOHJASWTYHH-UHFFFAOYSA-N
XLogP-0.10
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-chlorophenyl)pyrimidine-5-carboxylic acid
CID 75488589
2-aminopyrimidine-5-carboxylic acid
CID 7020367
4-amino-2-chloropyrimidine-5-carboxylic acid
CID 46863895
2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane
CID 159262243
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119006652
2,6-difluoro-5-methylpyridine-3-carboxylic acid
CID 21303212
1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone
CID 15851436
CID 172631320
CID 172631320
2-fluoro-6-iodopyridine-3-carboxylic acid
CID 130769199
4-amino-2-(trichloromethyl)pyrimidine-5-carboxylic acid
CID 165466688
1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone
CID 159487487
2-amino-5-methoxypyrimidine-4-carboxylic acid
CID 83816093

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoropyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-fluoropyrimidine-5-carboxylic acid (CID 90011731) is 2-amino-4-fluoropyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-fluoropyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-fluoropyrimidine-5-carboxylic acid is Nc1ncc(C(=O)O)c(F)n1.
What is the InChIKey of 2-amino-4-fluoropyrimidine-5-carboxylic acid?
The InChIKey is UJOOOHJASWTYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN3O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)(H2,7,8,9).
What are the key properties of 2-amino-4-fluoropyrimidine-5-carboxylic acid?
2-amino-4-fluoropyrimidine-5-carboxylic acid has a molecular weight of 157.10 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoropyrimidine-5-carboxylic acid is sourced from PubChem (CID 90011731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).