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

C11H10FN3O2 — CID 58166407

IUPAC4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one
SMILESCOc1ccc(-n2cc(F)c(N)nc2=O)cc1
InChIInChI=1S/C11H10FN3O2/c1-17-8-4-2-7(3-5-8)15-6-9(12)10(13)14-11(15)16/h2-6H,1H3,(H2,13,14,16)
InChIKeyNALOSLGGVKJXCI-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.96
Rot. Bonds2

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

4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one (PubChem CID 58166407) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one
PubChem CID58166407
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one
SMILESCOc1ccc(-n2cc(F)c(N)nc2=O)cc1
InChIInChI=1S/C11H10FN3O2/c1-17-8-4-2-7(3-5-8)15-6-9(12)10(13)14-11(15)16/h2-6H,1H3,(H2,13,14,16)
InChIKeyNALOSLGGVKJXCI-UHFFFAOYSA-N
XLogP0.96
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.96
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-(4-methoxyphenyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one (CID 58166407) is 4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one is COc1ccc(-n2cc(F)c(N)nc2=O)cc1.
What is the InChIKey of 4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one?
The InChIKey is NALOSLGGVKJXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-17-8-4-2-7(3-5-8)15-6-9(12)10(13)14-11(15)16/h2-6H,1H3,(H2,13,14,16).
What are the key properties of 4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one?
4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one has a molecular weight of 235.22 g/mol, XLogP of 0.96, 2 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-(4-methoxyphenyl)pyrimidin-2-one is sourced from PubChem (CID 58166407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).