4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one

C11H10FN3O — CID 11993946

IUPAC4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one
SMILESCc1cc(-n2ccc(N)nc2=O)ccc1F
InChIInChI=1S/C11H10FN3O/c1-7-6-8(2-3-9(7)12)15-5-4-10(13)14-11(15)16/h2-6H,1H3,(H2,13,14,16)
InChIKeyJCUPUDXLIXQRAQ-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.26
Rot. Bonds1

About 4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one

4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one (PubChem CID 11993946) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one
PubChem CID11993946
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one
SMILESCc1cc(-n2ccc(N)nc2=O)ccc1F
InChIInChI=1S/C11H10FN3O/c1-7-6-8(2-3-9(7)12)15-5-4-10(13)14-11(15)16/h2-6H,1H3,(H2,13,14,16)
InChIKeyJCUPUDXLIXQRAQ-UHFFFAOYSA-N
XLogP1.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-(4-fluoro-3-methylphenyl)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-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one (CID 11993946) is 4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one is Cc1cc(-n2ccc(N)nc2=O)ccc1F.
What is the InChIKey of 4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one?
The InChIKey is JCUPUDXLIXQRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7-6-8(2-3-9(7)12)15-5-4-10(13)14-11(15)16/h2-6H,1H3,(H2,13,14,16).
What are the key properties of 4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one?
4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one has a molecular weight of 219.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-fluoro-3-methylphenyl)pyrimidin-2-one is sourced from PubChem (CID 11993946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).