5-amino-1-phenylpyrimidin-4-one

C10H9N3O — CID 115114476

IUPAC5-amino-1-phenylpyrimidin-4-one
SMILESNc1cn(-c2ccccc2)cnc1=O
InChIInChI=1S/C10H9N3O/c11-9-6-13(7-12-10(9)14)8-4-2-1-3-5-8/h1-7H,11H2
InChIKeyYUMTZDUSOMLUDU-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.81
Rot. Bonds1

About 5-amino-1-phenylpyrimidin-4-one

5-amino-1-phenylpyrimidin-4-one (PubChem CID 115114476) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-amino-1-phenylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-phenylpyrimidin-4-one
PubChem CID115114476
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name5-amino-1-phenylpyrimidin-4-one
SMILESNc1cn(-c2ccccc2)cnc1=O
InChIInChI=1S/C10H9N3O/c11-9-6-13(7-12-10(9)14)8-4-2-1-3-5-8/h1-7H,11H2
InChIKeyYUMTZDUSOMLUDU-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 5-amino-1-phenylpyrimidin-4-one?
The IUPAC name of 5-amino-1-phenylpyrimidin-4-one (CID 115114476) is 5-amino-1-phenylpyrimidin-4-one.
What is the SMILES notation for 5-amino-1-phenylpyrimidin-4-one?
The canonical SMILES for 5-amino-1-phenylpyrimidin-4-one is Nc1cn(-c2ccccc2)cnc1=O.
What is the InChIKey of 5-amino-1-phenylpyrimidin-4-one?
The InChIKey is YUMTZDUSOMLUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-9-6-13(7-12-10(9)14)8-4-2-1-3-5-8/h1-7H,11H2.
What are the key properties of 5-amino-1-phenylpyrimidin-4-one?
5-amino-1-phenylpyrimidin-4-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 5-amino-1-phenylpyrimidin-4-one is sourced from PubChem (CID 115114476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).