1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid

C9H9FN4O3 — CID 67103630

IUPAC1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCN1C(=O)N(c2ncc(F)cn2)CC1C(=O)O
InChIInChI=1S/C9H9FN4O3/c1-13-6(7(15)16)4-14(9(13)17)8-11-2-5(10)3-12-8/h2-3,6H,4H2,1H3,(H,15,16)
InChIKeyFFWXUCPHQCJONA-UHFFFAOYSA-N
MW240.19 g/mol
LogP-0.06
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid

1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 67103630) has the molecular formula C9H9FN4O3 and a molecular weight of 240.19 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
PubChem CID67103630
Molecular FormulaC9H9FN4O3
Molecular Weight240.19 g/mol
Exact Mass240.07
IUPAC Name1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCN1C(=O)N(c2ncc(F)cn2)CC1C(=O)O
InChIInChI=1S/C9H9FN4O3/c1-13-6(7(15)16)4-14(9(13)17)8-11-2-5(10)3-12-8/h2-3,6H,4H2,1H3,(H,15,16)
InChIKeyFFWXUCPHQCJONA-UHFFFAOYSA-N
XLogP-0.06
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid (CID 67103630) is 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid is CN1C(=O)N(c2ncc(F)cn2)CC1C(=O)O.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is FFWXUCPHQCJONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O3/c1-13-6(7(15)16)4-14(9(13)17)8-11-2-5(10)3-12-8/h2-3,6H,4H2,1H3,(H,15,16).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 240.19 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 67103630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).