ethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate

C14H14N2O3 — CID 71742722

IUPACethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(COc2ccccc2)nc1
InChIInChI=1S/C14H14N2O3/c1-2-18-14(17)11-8-15-13(16-9-11)10-19-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3
InChIKeyWGPONGPOGHTKRH-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.23
Rot. Bonds5

About ethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate

ethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate (PubChem CID 71742722) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate
PubChem CID71742722
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(COc2ccccc2)nc1
InChIInChI=1S/C14H14N2O3/c1-2-18-14(17)11-8-15-13(16-9-11)10-19-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3
InChIKeyWGPONGPOGHTKRH-UHFFFAOYSA-N
XLogP2.23
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate (CID 71742722) is ethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(COc2ccccc2)nc1.
What is the InChIKey of ethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate?
The InChIKey is WGPONGPOGHTKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-18-14(17)11-8-15-13(16-9-11)10-19-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate?
ethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phenoxymethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 71742722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).