ethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate

C19H18N2O3 — CID 2765485

IUPACethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(=O)NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-2-24-19(23)15-16(13-9-5-3-6-10-13)20-17(21-18(15)22)14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3,(H,20,21,22)
InChIKeyKWTHQSOAZSPRQI-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.48
Rot. Bonds4

About ethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2765485) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2765485
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(=O)NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-2-24-19(23)15-16(13-9-5-3-6-10-13)20-17(21-18(15)22)14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3,(H,20,21,22)
InChIKeyKWTHQSOAZSPRQI-UHFFFAOYSA-N
XLogP2.48
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate (CID 2765485) is ethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1C(=O)NC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of ethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is KWTHQSOAZSPRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-24-19(23)15-16(13-9-5-3-6-10-13)20-17(21-18(15)22)14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3,(H,20,21,22).
What are the key properties of ethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2765485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).