4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one

C8H10FN3O2 — CID 13100575

IUPAC4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one
SMILESNc1nc(=O)n(C2CCCO2)cc1F
InChIInChI=1S/C8H10FN3O2/c9-5-4-12(6-2-1-3-14-6)8(13)11-7(5)10/h4,6H,1-3H2,(H2,10,11,13)
InChIKeyNGMYSHCQQAYUHJ-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.27
Rot. Bonds1

About 4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one

4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one (PubChem CID 13100575) has the molecular formula C8H10FN3O2 and a molecular weight of 199.18 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one
PubChem CID13100575
Molecular FormulaC8H10FN3O2
Molecular Weight199.18 g/mol
Exact Mass199.08
IUPAC Name4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one
SMILESNc1nc(=O)n(C2CCCO2)cc1F
InChIInChI=1S/C8H10FN3O2/c9-5-4-12(6-2-1-3-14-6)8(13)11-7(5)10/h4,6H,1-3H2,(H2,10,11,13)
InChIKeyNGMYSHCQQAYUHJ-UHFFFAOYSA-N
XLogP0.27
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-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-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one (CID 13100575) is 4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one is Nc1nc(=O)n(C2CCCO2)cc1F.
What is the InChIKey of 4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one?
The InChIKey is NGMYSHCQQAYUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c9-5-4-12(6-2-1-3-14-6)8(13)11-7(5)10/h4,6H,1-3H2,(H2,10,11,13).
What are the key properties of 4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one?
4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one has a molecular weight of 199.18 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-(oxolan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 13100575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).