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

C14H16N2O4 — CID 4651714

IUPACethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(O)cc2)NC(=O)NC1C
InChIInChI=1S/C14H16N2O4/c1-3-20-13(18)11-8(2)15-14(19)16-12(11)9-4-6-10(17)7-5-9/h4-8,17H,3H2,1-2H3,(H2,15,16,19)
InChIKeyUVCDNAIQLLEGMZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.37
Rot. Bonds3

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

ethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 4651714) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID4651714
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(O)cc2)NC(=O)NC1C
InChIInChI=1S/C14H16N2O4/c1-3-20-13(18)11-8(2)15-14(19)16-12(11)9-4-6-10(17)7-5-9/h4-8,17H,3H2,1-2H3,(H2,15,16,19)
InChIKeyUVCDNAIQLLEGMZ-UHFFFAOYSA-N
XLogP1.37
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 4651714) is ethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(c2ccc(O)cc2)NC(=O)NC1C.
What is the InChIKey of ethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is UVCDNAIQLLEGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-20-13(18)11-8(2)15-14(19)16-12(11)9-4-6-10(17)7-5-9/h4-8,17H,3H2,1-2H3,(H2,15,16,19).
What are the key properties of ethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 4651714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).