4-amino-1-phenylpyrimidin-2-one

C10H9N3O — CID 10773925

IUPAC4-amino-1-phenylpyrimidin-2-one
SMILESNc1ccn(-c2ccccc2)c(=O)n1
InChIInChI=1S/C10H9N3O/c11-9-6-7-13(10(14)12-9)8-4-2-1-3-5-8/h1-7H,(H2,11,12,14)
InChIKeyKUFLGYCCOQGBEK-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.81
Rot. Bonds1

About 4-amino-1-phenylpyrimidin-2-one

4-amino-1-phenylpyrimidin-2-one (PubChem CID 10773925) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-amino-1-phenylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-phenylpyrimidin-2-one
PubChem CID10773925
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name4-amino-1-phenylpyrimidin-2-one
SMILESNc1ccn(-c2ccccc2)c(=O)n1
InChIInChI=1S/C10H9N3O/c11-9-6-7-13(10(14)12-9)8-4-2-1-3-5-8/h1-7H,(H2,11,12,14)
InChIKeyKUFLGYCCOQGBEK-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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-phenylpyrimidin-2-one?
The IUPAC name of 4-amino-1-phenylpyrimidin-2-one (CID 10773925) is 4-amino-1-phenylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-phenylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-phenylpyrimidin-2-one is Nc1ccn(-c2ccccc2)c(=O)n1.
What is the InChIKey of 4-amino-1-phenylpyrimidin-2-one?
The InChIKey is KUFLGYCCOQGBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-9-6-7-13(10(14)12-9)8-4-2-1-3-5-8/h1-7H,(H2,11,12,14).
What are the key properties of 4-amino-1-phenylpyrimidin-2-one?
4-amino-1-phenylpyrimidin-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 4-amino-1-phenylpyrimidin-2-one is sourced from PubChem (CID 10773925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).