2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid

C7H8FN3O2 — CID 130550916

IUPAC2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(NCCF)nc1
InChIInChI=1S/C7H8FN3O2/c8-1-2-9-7-10-3-5(4-11-7)6(12)13/h3-4H,1-2H2,(H,12,13)(H,9,10,11)
InChIKeyHBYIZKLNQACINN-UHFFFAOYSA-N
MW185.16 g/mol
LogP0.56
Rot. Bonds4

About 2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid

2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid (PubChem CID 130550916) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is 2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid
PubChem CID130550916
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(NCCF)nc1
InChIInChI=1S/C7H8FN3O2/c8-1-2-9-7-10-3-5(4-11-7)6(12)13/h3-4H,1-2H2,(H,12,13)(H,9,10,11)
InChIKeyHBYIZKLNQACINN-UHFFFAOYSA-N
XLogP0.56
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid (CID 130550916) is 2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(NCCF)nc1.
What is the InChIKey of 2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is HBYIZKLNQACINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c8-1-2-9-7-10-3-5(4-11-7)6(12)13/h3-4H,1-2H2,(H,12,13)(H,9,10,11).
What are the key properties of 2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid?
2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 185.16 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 130550916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).