5-phenoxy-1H-pyrimidin-6-one

C10H8N2O2 — CID 12661854

IUPAC5-phenoxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1Oc1ccccc1
InChIInChI=1S/C10H8N2O2/c13-10-9(6-11-7-12-10)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKeyPRXCVXCFQYBCQL-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.56
Rot. Bonds2

About 5-phenoxy-1H-pyrimidin-6-one

5-phenoxy-1H-pyrimidin-6-one (PubChem CID 12661854) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-phenoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-phenoxy-1H-pyrimidin-6-one
PubChem CID12661854
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name5-phenoxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1Oc1ccccc1
InChIInChI=1S/C10H8N2O2/c13-10-9(6-11-7-12-10)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKeyPRXCVXCFQYBCQL-UHFFFAOYSA-N
XLogP1.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-phenoxy-1H-pyrimidin-6-one (CID 12661854) is 5-phenoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-phenoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-phenoxy-1H-pyrimidin-6-one is O=c1[nH]cncc1Oc1ccccc1.
What is the InChIKey of 5-phenoxy-1H-pyrimidin-6-one?
The InChIKey is PRXCVXCFQYBCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10-9(6-11-7-12-10)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13).
What are the key properties of 5-phenoxy-1H-pyrimidin-6-one?
5-phenoxy-1H-pyrimidin-6-one has a molecular weight of 188.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 12661854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).