2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid

C8H9FN2O3 — CID 81296713

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid
SMILESCc1cc(C)n(C(F)C(=O)O)c(=O)n1
InChIInChI=1S/C8H9FN2O3/c1-4-3-5(2)11(8(14)10-4)6(9)7(12)13/h3,6H,1-2H3,(H,12,13)
InChIKeyGQLLDPJUUBKZFS-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.41
Rot. Bonds2

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid (PubChem CID 81296713) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid
PubChem CID81296713
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid
SMILESCc1cc(C)n(C(F)C(=O)O)c(=O)n1
InChIInChI=1S/C8H9FN2O3/c1-4-3-5(2)11(8(14)10-4)6(9)7(12)13/h3,6H,1-2H3,(H,12,13)
InChIKeyGQLLDPJUUBKZFS-UHFFFAOYSA-N
XLogP0.41
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid (CID 81296713) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid is Cc1cc(C)n(C(F)C(=O)O)c(=O)n1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid?
The InChIKey is GQLLDPJUUBKZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-4-3-5(2)11(8(14)10-4)6(9)7(12)13/h3,6H,1-2H3,(H,12,13).
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid has a molecular weight of 200.17 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81296713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).