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

C14H16N2O4 — CID 91523541

IUPACethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1CNC(=O)N=C1c1ccc(OC)cc1
InChIInChI=1S/C14H16N2O4/c1-3-20-13(17)11-8-15-14(18)16-12(11)9-4-6-10(19-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,15,18)
InChIKeyJUMFJTKRABBGOK-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.39
Rot. Bonds4

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

ethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 91523541) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID91523541
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1CNC(=O)N=C1c1ccc(OC)cc1
InChIInChI=1S/C14H16N2O4/c1-3-20-13(17)11-8-15-14(18)16-12(11)9-4-6-10(19-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,15,18)
InChIKeyJUMFJTKRABBGOK-UHFFFAOYSA-N
XLogP1.39
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 57152034
ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate
CID 141043636
ethyl 4-(4-methoxyphenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene-2-carboxylate
CID 102040068
ethyl 4,6-bis(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2864538
ethyl (1S,6S)-4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-ylcyclohex-3-ene-1-carboxylate
CID 41130408
trans-ethyl (1R,2R)-2-[5-(4-methoxyphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]cyclopropane-1-carboxylate
CID 97339996
ethyl (1R,6S)-6-(4-methoxyphenyl)-2-oxo-4-phenylcyclohex-3-ene-1-carboxylate;ethyl (1S,6R)-6-(4-methoxyphenyl)-2-oxo-4-phenylcyclohex-3-ene-1-carboxylate
CID 139084600
ethyl (1R,6R)-6-(4-methoxyphenyl)-4-(3-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 99798543
ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate
CID 118700652
2-(4-methoxyphenyl)-5-methylindol-3-one
CID 163409631
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
ethyl 1-[2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 46031635

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 91523541) is ethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1CNC(=O)N=C1c1ccc(OC)cc1.
What is the InChIKey of ethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is JUMFJTKRABBGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-20-13(17)11-8-15-14(18)16-12(11)9-4-6-10(19-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,15,18).
What are the key properties of ethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 91523541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).