ethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate

C20H18N2O4 — CID 12535809

IUPACethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2OCc2ccccc2)[nH]c1=O
InChIInChI=1S/C20H18N2O4/c1-2-25-20(24)16-12-21-18(22-19(16)23)15-10-6-7-11-17(15)26-13-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,21,22,23)
InChIKeyNBNODBFQUUWHAQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.19
Rot. Bonds6

About ethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate

ethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate (PubChem CID 12535809) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is ethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate
PubChem CID12535809
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Nameethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2OCc2ccccc2)[nH]c1=O
InChIInChI=1S/C20H18N2O4/c1-2-25-20(24)16-12-21-18(22-19(16)23)15-10-6-7-11-17(15)26-13-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,21,22,23)
InChIKeyNBNODBFQUUWHAQ-UHFFFAOYSA-N
XLogP3.19
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate (CID 12535809) is ethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2OCc2ccccc2)[nH]c1=O.
What is the InChIKey of ethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate?
The InChIKey is NBNODBFQUUWHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-25-20(24)16-12-21-18(22-19(16)23)15-10-6-7-11-17(15)26-13-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,21,22,23).
What are the key properties of ethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate?
ethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2-(2-phenylmethoxyphenyl)-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 12535809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).