ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate

C14H14N2O3 — CID 136932103

IUPACethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(O)cc2)ncc1C
InChIInChI=1S/C14H14N2O3/c1-3-19-14(18)12-9(2)8-15-13(16-12)10-4-6-11(17)7-5-10/h4-8,17H,3H2,1-2H3
InChIKeyYNXLPDGTJPIXCE-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.33
Rot. Bonds3

About ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate

ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate (PubChem CID 136932103) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate
PubChem CID136932103
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(O)cc2)ncc1C
InChIInChI=1S/C14H14N2O3/c1-3-19-14(18)12-9(2)8-15-13(16-12)10-4-6-11(17)7-5-10/h4-8,17H,3H2,1-2H3
InChIKeyYNXLPDGTJPIXCE-UHFFFAOYSA-N
XLogP2.33
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate (CID 136932103) is ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate is CCOC(=O)c1nc(-c2ccc(O)cc2)ncc1C.
What is the InChIKey of ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate?
The InChIKey is YNXLPDGTJPIXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-19-14(18)12-9(2)8-15-13(16-12)10-4-6-11(17)7-5-10/h4-8,17H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate?
ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 136932103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).