4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one

C8H6F2N6O3 — CID 174429732

IUPAC4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one
SMILESNc1nc(=O)n(On2cc(F)c(N)nc2=O)cc1F
InChIInChI=1S/C8H6F2N6O3/c9-3-1-15(7(17)13-5(3)11)19-16-2-4(10)6(12)14-8(16)18/h1-2H,(H2,11,13,17)(H2,12,14,18)
InChIKeyKDZQROKTCCTNOY-UHFFFAOYSA-N
MW272.17 g/mol
LogP-1.87
Rot. Bonds2

About 4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one

4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one (PubChem CID 174429732) has the molecular formula C8H6F2N6O3 and a molecular weight of 272.17 g/mol. Its IUPAC name is 4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one
PubChem CID174429732
Molecular FormulaC8H6F2N6O3
Molecular Weight272.17 g/mol
Exact Mass272.05
IUPAC Name4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one
SMILESNc1nc(=O)n(On2cc(F)c(N)nc2=O)cc1F
InChIInChI=1S/C8H6F2N6O3/c9-3-1-15(7(17)13-5(3)11)19-16-2-4(10)6(12)14-8(16)18/h1-2H,(H2,11,13,17)(H2,12,14,18)
InChIKeyKDZQROKTCCTNOY-UHFFFAOYSA-N
XLogP-1.87
TPSA131.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one 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-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one (CID 174429732) is 4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one is Nc1nc(=O)n(On2cc(F)c(N)nc2=O)cc1F.
What is the InChIKey of 4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one?
The InChIKey is KDZQROKTCCTNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N6O3/c9-3-1-15(7(17)13-5(3)11)19-16-2-4(10)6(12)14-8(16)18/h1-2H,(H2,11,13,17)(H2,12,14,18).
What are the key properties of 4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one?
4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one has a molecular weight of 272.17 g/mol, XLogP of -1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one is sourced from PubChem (CID 174429732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).