5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid

C12H15FN4O2 — CID 155277278

IUPAC5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid
SMILESNc1nc(N2CCC(C(=O)O)C3(CC3)C2)ncc1F
InChIInChI=1S/C12H15FN4O2/c13-8-5-15-11(16-9(8)14)17-4-1-7(10(18)19)12(6-17)2-3-12/h5,7H,1-4,6H2,(H,18,19)(H2,14,15,16)
InChIKeyPEZMDPPNVJYYCF-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.89
Rot. Bonds2

About 5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid

5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid (PubChem CID 155277278) has the molecular formula C12H15FN4O2 and a molecular weight of 266.28 g/mol. Its IUPAC name is 5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid.

Molecular Properties

Compound Name5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid
PubChem CID155277278
Molecular FormulaC12H15FN4O2
Molecular Weight266.28 g/mol
Exact Mass266.12
IUPAC Name5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid
SMILESNc1nc(N2CCC(C(=O)O)C3(CC3)C2)ncc1F
InChIInChI=1S/C12H15FN4O2/c13-8-5-15-11(16-9(8)14)17-4-1-7(10(18)19)12(6-17)2-3-12/h5,7H,1-4,6H2,(H,18,19)(H2,14,15,16)
InChIKeyPEZMDPPNVJYYCF-UHFFFAOYSA-N
XLogP0.89
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-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 5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid?
The IUPAC name of 5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid (CID 155277278) is 5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid.
What is the SMILES notation for 5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid?
The canonical SMILES for 5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid is Nc1nc(N2CCC(C(=O)O)C3(CC3)C2)ncc1F.
What is the InChIKey of 5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid?
The InChIKey is PEZMDPPNVJYYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2/c13-8-5-15-11(16-9(8)14)17-4-1-7(10(18)19)12(6-17)2-3-12/h5,7H,1-4,6H2,(H,18,19)(H2,14,15,16).
What are the key properties of 5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid?
5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-5-fluoropyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid is sourced from PubChem (CID 155277278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).