ethane;5-phenoxy-1H-pyrimidin-2-one

C14H20N2O2 — CID 91233688

IUPACethane;5-phenoxy-1H-pyrimidin-2-one
SMILESCC.CC.O=c1ncc(Oc2ccccc2)c[nH]1
InChIInChI=1S/C10H8N2O2.2C2H6/c13-10-11-6-9(7-12-10)14-8-4-2-1-3-5-8;2*1-2/h1-7H,(H,11,12,13);2*1-2H3
InChIKeyWBAJNEKROAWBLL-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.61
Rot. Bonds2

About ethane;5-phenoxy-1H-pyrimidin-2-one

ethane;5-phenoxy-1H-pyrimidin-2-one (PubChem CID 91233688) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethane;5-phenoxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Nameethane;5-phenoxy-1H-pyrimidin-2-one
PubChem CID91233688
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethane;5-phenoxy-1H-pyrimidin-2-one
SMILESCC.CC.O=c1ncc(Oc2ccccc2)c[nH]1
InChIInChI=1S/C10H8N2O2.2C2H6/c13-10-11-6-9(7-12-10)14-8-4-2-1-3-5-8;2*1-2/h1-7H,(H,11,12,13);2*1-2H3
InChIKeyWBAJNEKROAWBLL-UHFFFAOYSA-N
XLogP3.61
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-phenoxy-1H-pyrimidin-2-one?
The IUPAC name of ethane;5-phenoxy-1H-pyrimidin-2-one (CID 91233688) is ethane;5-phenoxy-1H-pyrimidin-2-one.
What is the SMILES notation for ethane;5-phenoxy-1H-pyrimidin-2-one?
The canonical SMILES for ethane;5-phenoxy-1H-pyrimidin-2-one is CC.CC.O=c1ncc(Oc2ccccc2)c[nH]1.
What is the InChIKey of ethane;5-phenoxy-1H-pyrimidin-2-one?
The InChIKey is WBAJNEKROAWBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.2C2H6/c13-10-11-6-9(7-12-10)14-8-4-2-1-3-5-8;2*1-2/h1-7H,(H,11,12,13);2*1-2H3.
What are the key properties of ethane;5-phenoxy-1H-pyrimidin-2-one?
ethane;5-phenoxy-1H-pyrimidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-phenoxy-1H-pyrimidin-2-one is sourced from PubChem (CID 91233688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).