ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

C15H18N2O5 — CID 91899694

IUPACethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(C)=NC(=O)NC1c1ccc(O)c(OC)c1
InChIInChI=1S/C15H18N2O5/c1-4-22-14(19)12-8(2)16-15(20)17-13(12)9-5-6-10(18)11(7-9)21-3/h5-7,12-13,18H,4H2,1-3H3,(H,17,20)
InChIKeyAOJGRTYTGKIPGK-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.81
Rot. Bonds4

About ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 91899694) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID91899694
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Nameethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(C)=NC(=O)NC1c1ccc(O)c(OC)c1
InChIInChI=1S/C15H18N2O5/c1-4-22-14(19)12-8(2)16-15(20)17-13(12)9-5-6-10(18)11(7-9)21-3/h5-7,12-13,18H,4H2,1-3H3,(H,17,20)
InChIKeyAOJGRTYTGKIPGK-UHFFFAOYSA-N
XLogP1.81
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 91899694) is ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1C(C)=NC(=O)NC1c1ccc(O)c(OC)c1.
What is the InChIKey of ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is AOJGRTYTGKIPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-4-22-14(19)12-8(2)16-15(20)17-13(12)9-5-6-10(18)11(7-9)21-3/h5-7,12-13,18H,4H2,1-3H3,(H,17,20).
What are the key properties of ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 91899694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).