2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid

C8H10FN3O2 — CID 89350746

IUPAC2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1nccc(F)n1)C(=O)O
InChIInChI=1S/C8H10FN3O2/c1-8(2,6(13)14)12-7-10-4-3-5(9)11-7/h3-4H,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyBLSSUTKKXUWRMF-UHFFFAOYSA-N
MW199.19 g/mol
LogP0.89
Rot. Bonds3

About 2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid

2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid (PubChem CID 89350746) has the molecular formula C8H10FN3O2 and a molecular weight of 199.19 g/mol. Its IUPAC name is 2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid
PubChem CID89350746
Molecular FormulaC8H10FN3O2
Molecular Weight199.19 g/mol
Exact Mass199.08
IUPAC Name2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1nccc(F)n1)C(=O)O
InChIInChI=1S/C8H10FN3O2/c1-8(2,6(13)14)12-7-10-4-3-5(9)11-7/h3-4H,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyBLSSUTKKXUWRMF-UHFFFAOYSA-N
XLogP0.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid (CID 89350746) is 2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid is CC(C)(Nc1nccc(F)n1)C(=O)O.
What is the InChIKey of 2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is BLSSUTKKXUWRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c1-8(2,6(13)14)12-7-10-4-3-5(9)11-7/h3-4H,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid?
2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 199.19 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 89350746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).