1-(4-aminophenyl)pyrimidin-2-one

C10H9N3O — CID 59260073

IUPAC1-(4-aminophenyl)pyrimidin-2-one
SMILESNc1ccc(-n2cccnc2=O)cc1
InChIInChI=1S/C10H9N3O/c11-8-2-4-9(5-3-8)13-7-1-6-12-10(13)14/h1-7H,11H2
InChIKeyNKCOWLJQGNMLDV-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.81
Rot. Bonds1

About 1-(4-aminophenyl)pyrimidin-2-one

1-(4-aminophenyl)pyrimidin-2-one (PubChem CID 59260073) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-(4-aminophenyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(4-aminophenyl)pyrimidin-2-one
PubChem CID59260073
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name1-(4-aminophenyl)pyrimidin-2-one
SMILESNc1ccc(-n2cccnc2=O)cc1
InChIInChI=1S/C10H9N3O/c11-8-2-4-9(5-3-8)13-7-1-6-12-10(13)14/h1-7H,11H2
InChIKeyNKCOWLJQGNMLDV-UHFFFAOYSA-N
XLogP0.81
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)pyrimidin-2-one?
The IUPAC name of 1-(4-aminophenyl)pyrimidin-2-one (CID 59260073) is 1-(4-aminophenyl)pyrimidin-2-one.
What is the SMILES notation for 1-(4-aminophenyl)pyrimidin-2-one?
The canonical SMILES for 1-(4-aminophenyl)pyrimidin-2-one is Nc1ccc(-n2cccnc2=O)cc1.
What is the InChIKey of 1-(4-aminophenyl)pyrimidin-2-one?
The InChIKey is NKCOWLJQGNMLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-8-2-4-9(5-3-8)13-7-1-6-12-10(13)14/h1-7H,11H2.
What are the key properties of 1-(4-aminophenyl)pyrimidin-2-one?
1-(4-aminophenyl)pyrimidin-2-one has a molecular weight of 187.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)pyrimidin-2-one is sourced from PubChem (CID 59260073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).