4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid

C10H12FN3O3 — CID 104605960

IUPAC4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1Nc1ncc(F)cn1
InChIInChI=1S/C10H12FN3O3/c1-10(8(15)16)5-17-4-7(10)14-9-12-2-6(11)3-13-9/h2-3,7H,4-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyYCGVXHZXIMYVFY-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.52
Rot. Bonds3

About 4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid

4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 104605960) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID104605960
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1Nc1ncc(F)cn1
InChIInChI=1S/C10H12FN3O3/c1-10(8(15)16)5-17-4-7(10)14-9-12-2-6(11)3-13-9/h2-3,7H,4-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyYCGVXHZXIMYVFY-UHFFFAOYSA-N
XLogP0.52
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid (CID 104605960) is 4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1Nc1ncc(F)cn1.
What is the InChIKey of 4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is YCGVXHZXIMYVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-10(8(15)16)5-17-4-7(10)14-9-12-2-6(11)3-13-9/h2-3,7H,4-5H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 241.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 104605960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).