4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid

C10H12FN3O3 — CID 104605958

IUPAC4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(c1ncc(F)cn1)C1COCC1C(=O)O
InChIInChI=1S/C10H12FN3O3/c1-14(10-12-2-6(11)3-13-10)8-5-17-4-7(8)9(15)16/h2-3,7-8H,4-5H2,1H3,(H,15,16)
InChIKeyRHJGNADIXQCMKC-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.15
Rot. Bonds3

About 4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid

4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 104605958) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid
PubChem CID104605958
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(c1ncc(F)cn1)C1COCC1C(=O)O
InChIInChI=1S/C10H12FN3O3/c1-14(10-12-2-6(11)3-13-10)8-5-17-4-7(8)9(15)16/h2-3,7-8H,4-5H2,1H3,(H,15,16)
InChIKeyRHJGNADIXQCMKC-UHFFFAOYSA-N
XLogP0.15
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid (CID 104605958) is 4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid is CN(c1ncc(F)cn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is RHJGNADIXQCMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-14(10-12-2-6(11)3-13-10)8-5-17-4-7(8)9(15)16/h2-3,7-8H,4-5H2,1H3,(H,15,16).
What are the key properties of 4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid?
4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 241.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 104605958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).