4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one

C17H14N2O4 — CID 91666066

IUPAC4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1Oc1c(O)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H14N2O4/c1-22-12-9-5-6-10-13(12)23-14-16(20)18-15(19-17(14)21)11-7-3-2-4-8-11/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyATNXGJZUHJXWRC-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.94
Rot. Bonds4

About 4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one

4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 91666066) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one
PubChem CID91666066
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1Oc1c(O)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H14N2O4/c1-22-12-9-5-6-10-13(12)23-14-16(20)18-15(19-17(14)21)11-7-3-2-4-8-11/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyATNXGJZUHJXWRC-UHFFFAOYSA-N
XLogP2.94
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one (CID 91666066) is 4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one is COc1ccccc1Oc1c(O)nc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is ATNXGJZUHJXWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-12-9-5-6-10-13(12)23-14-16(20)18-15(19-17(14)21)11-7-3-2-4-8-11/h2-10H,1H3,(H2,18,19,20,21).
What are the key properties of 4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one?
4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 310.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methoxyphenoxy)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 91666066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).