5-(4-aminophenyl)-1-methylpyrimidin-2-one

C11H11N3O — CID 130017438

IUPAC5-(4-aminophenyl)-1-methylpyrimidin-2-one
SMILESCn1cc(-c2ccc(N)cc2)cnc1=O
InChIInChI=1S/C11H11N3O/c1-14-7-9(6-13-11(14)15)8-2-4-10(12)5-3-8/h2-7H,12H2,1H3
InChIKeyYLHQGVBKFZFBLV-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.03
Rot. Bonds1

About 5-(4-aminophenyl)-1-methylpyrimidin-2-one

5-(4-aminophenyl)-1-methylpyrimidin-2-one (PubChem CID 130017438) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-(4-aminophenyl)-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name5-(4-aminophenyl)-1-methylpyrimidin-2-one
PubChem CID130017438
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-(4-aminophenyl)-1-methylpyrimidin-2-one
SMILESCn1cc(-c2ccc(N)cc2)cnc1=O
InChIInChI=1S/C11H11N3O/c1-14-7-9(6-13-11(14)15)8-2-4-10(12)5-3-8/h2-7H,12H2,1H3
InChIKeyYLHQGVBKFZFBLV-UHFFFAOYSA-N
XLogP1.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-1-methylpyrimidin-2-one?
The IUPAC name of 5-(4-aminophenyl)-1-methylpyrimidin-2-one (CID 130017438) is 5-(4-aminophenyl)-1-methylpyrimidin-2-one.
What is the SMILES notation for 5-(4-aminophenyl)-1-methylpyrimidin-2-one?
The canonical SMILES for 5-(4-aminophenyl)-1-methylpyrimidin-2-one is Cn1cc(-c2ccc(N)cc2)cnc1=O.
What is the InChIKey of 5-(4-aminophenyl)-1-methylpyrimidin-2-one?
The InChIKey is YLHQGVBKFZFBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-14-7-9(6-13-11(14)15)8-2-4-10(12)5-3-8/h2-7H,12H2,1H3.
What are the key properties of 5-(4-aminophenyl)-1-methylpyrimidin-2-one?
5-(4-aminophenyl)-1-methylpyrimidin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-1-methylpyrimidin-2-one is sourced from PubChem (CID 130017438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).