4-hydroxy-5-phenyl-1H-pyrimidin-6-one

C10H8N2O2 — CID 4737480

IUPAC4-hydroxy-5-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1-c1ccccc1
InChIInChI=1S/C10H8N2O2/c13-9-8(10(14)12-6-11-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChIKeyIRGAQJPJIPBZCT-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.14
Rot. Bonds1

About 4-hydroxy-5-phenyl-1H-pyrimidin-6-one

4-hydroxy-5-phenyl-1H-pyrimidin-6-one (PubChem CID 4737480) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-hydroxy-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-phenyl-1H-pyrimidin-6-one
PubChem CID4737480
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-hydroxy-5-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1-c1ccccc1
InChIInChI=1S/C10H8N2O2/c13-9-8(10(14)12-6-11-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChIKeyIRGAQJPJIPBZCT-UHFFFAOYSA-N
XLogP1.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-phenyl-1H-pyrimidin-6-one (CID 4737480) is 4-hydroxy-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-phenyl-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is IRGAQJPJIPBZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-9-8(10(14)12-6-11-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
4-hydroxy-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 188.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 4737480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).