ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate

C18H21N3O5 — CID 54691437

IUPACethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2N2CCOCC2)n(C)c(=O)c1O
InChIInChI=1S/C18H21N3O5/c1-3-26-18(24)14-15(22)17(23)20(2)16(19-14)12-6-4-5-7-13(12)21-8-10-25-11-9-21/h4-7,22H,3,8-11H2,1-2H3
InChIKeyIAIUPGUKQPVLOA-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.17
Rot. Bonds4

About ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate

ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate (PubChem CID 54691437) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate
PubChem CID54691437
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Nameethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2N2CCOCC2)n(C)c(=O)c1O
InChIInChI=1S/C18H21N3O5/c1-3-26-18(24)14-15(22)17(23)20(2)16(19-14)12-6-4-5-7-13(12)21-8-10-25-11-9-21/h4-7,22H,3,8-11H2,1-2H3
InChIKeyIAIUPGUKQPVLOA-UHFFFAOYSA-N
XLogP1.17
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 42878220
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CID 91382106
ethyl 5-morpholin-4-ylthiophene-2-carboxylate
CID 10681573
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CID 18953495
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
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CID 154210360
ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 44899506
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CID 108500117

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate (CID 54691437) is ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2N2CCOCC2)n(C)c(=O)c1O.
What is the InChIKey of ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate?
The InChIKey is IAIUPGUKQPVLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-3-26-18(24)14-15(22)17(23)20(2)16(19-14)12-6-4-5-7-13(12)21-8-10-25-11-9-21/h4-7,22H,3,8-11H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate?
ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate is sourced from PubChem (CID 54691437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).