[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate

C19H15N3O4 — CID 2560821

IUPAC[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate
SMILESO=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ncccn1
InChIInChI=1S/C19H15N3O4/c23-17(22-19-20-11-4-12-21-19)13-25-18(24)14-7-9-16(10-8-14)26-15-5-2-1-3-6-15/h1-12H,13H2,(H,20,21,22,23)
InChIKeyQVHZSFVWCWIRRJ-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.06
Rot. Bonds6

About [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate

[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate (PubChem CID 2560821) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate
PubChem CID2560821
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate
SMILESO=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ncccn1
InChIInChI=1S/C19H15N3O4/c23-17(22-19-20-11-4-12-21-19)13-25-18(24)14-7-9-16(10-8-14)26-15-5-2-1-3-6-15/h1-12H,13H2,(H,20,21,22,23)
InChIKeyQVHZSFVWCWIRRJ-UHFFFAOYSA-N
XLogP3.06
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate?
The IUPAC name of [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate (CID 2560821) is [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate.
What is the SMILES notation for [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate?
The canonical SMILES for [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate is O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ncccn1.
What is the InChIKey of [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate?
The InChIKey is QVHZSFVWCWIRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-17(22-19-20-11-4-12-21-19)13-25-18(24)14-7-9-16(10-8-14)26-15-5-2-1-3-6-15/h1-12H,13H2,(H,20,21,22,23).
What are the key properties of [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate?
[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate has a molecular weight of 349.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-phenoxybenzoate is sourced from PubChem (CID 2560821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).