4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one

C12H12FN3O2 — CID 58166413

IUPAC4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one
SMILESNc1nc(=O)n(COCc2ccccc2)cc1F
InChIInChI=1S/C12H12FN3O2/c13-10-6-16(12(17)15-11(10)14)8-18-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,14,15,17)
InChIKeyOZCPAYYIFKISCB-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.14
Rot. Bonds4

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

4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one (PubChem CID 58166413) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one
PubChem CID58166413
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one
SMILESNc1nc(=O)n(COCc2ccccc2)cc1F
InChIInChI=1S/C12H12FN3O2/c13-10-6-16(12(17)15-11(10)14)8-18-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,14,15,17)
InChIKeyOZCPAYYIFKISCB-UHFFFAOYSA-N
XLogP1.14
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one (CID 58166413) is 4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one is Nc1nc(=O)n(COCc2ccccc2)cc1F.
What is the InChIKey of 4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one?
The InChIKey is OZCPAYYIFKISCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c13-10-6-16(12(17)15-11(10)14)8-18-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,14,15,17).
What are the key properties of 4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one?
4-amino-5-fluoro-1-(phenylmethoxymethyl)pyrimidin-2-one has a molecular weight of 249.25 g/mol, XLogP of 1.14, 4 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-(phenylmethoxymethyl)pyrimidin-2-one is sourced from PubChem (CID 58166413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).