2-amino-4-phenyl-1H-pyrimidin-6-one

C10H9N3O — CID 135420365

IUPAC2-amino-4-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C10H9N3O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChIKeyKXYGHDWFGFZJPJ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.02
Rot. Bonds1

About 2-amino-4-phenyl-1H-pyrimidin-6-one

2-amino-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135420365) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-amino-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-phenyl-1H-pyrimidin-6-one
PubChem CID135420365
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-amino-4-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C10H9N3O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChIKeyKXYGHDWFGFZJPJ-UHFFFAOYSA-N
XLogP1.02
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-phenyl-1H-pyrimidin-6-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 2-amino-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-phenyl-1H-pyrimidin-6-one (CID 135420365) is 2-amino-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-phenyl-1H-pyrimidin-6-one is Nc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is KXYGHDWFGFZJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14).
What are the key properties of 2-amino-4-phenyl-1H-pyrimidin-6-one?
2-amino-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 187.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135420365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).