4-phenoxy-1H-pyrimidin-6-one

C10H8N2O2 — CID 13185839

IUPAC4-phenoxy-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccccc2)nc[nH]1
InChIInChI=1S/C10H8N2O2/c13-9-6-10(12-7-11-9)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKeyKSVPUCCLIWWWTB-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.56
Rot. Bonds2

About 4-phenoxy-1H-pyrimidin-6-one

4-phenoxy-1H-pyrimidin-6-one (PubChem CID 13185839) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-phenoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-phenoxy-1H-pyrimidin-6-one
PubChem CID13185839
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-phenoxy-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccccc2)nc[nH]1
InChIInChI=1S/C10H8N2O2/c13-9-6-10(12-7-11-9)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKeyKSVPUCCLIWWWTB-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 4-phenoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-phenoxy-1H-pyrimidin-6-one (CID 13185839) is 4-phenoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-phenoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-phenoxy-1H-pyrimidin-6-one is O=c1cc(Oc2ccccc2)nc[nH]1.
What is the InChIKey of 4-phenoxy-1H-pyrimidin-6-one?
The InChIKey is KSVPUCCLIWWWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-9-6-10(12-7-11-9)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13).
What are the key properties of 4-phenoxy-1H-pyrimidin-6-one?
4-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 4-phenoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 13185839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).