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76360-60-6 molecular structure
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ethyl 5-hydroxy-8-(2-methoxyethyl)-7-oxo-2-phenyl-7H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

ChemBase ID: 53394
Molecular Formular: C19H19N3O5
Molecular Mass: 369.37126
Monoisotopic Mass: 369.13247072
SMILES and InChIs

SMILES:
n1c(nc2c(c1)c(O)c(c(=O)n2CCOC)C(=O)OCC)c1ccccc1
Canonical SMILES:
COCCn1c2nc(ncc2c(c(c1=O)C(=O)OCC)O)c1ccccc1
InChI:
InChI=1S/C19H19N3O5/c1-3-27-19(25)14-15(23)13-11-20-16(12-7-5-4-6-8-12)21-17(13)22(18(14)24)9-10-26-2/h4-8,11,23H,3,9-10H2,1-2H3
InChIKey:
OMCDJZRKPLNPJC-UHFFFAOYSA-N

Cite this record

CBID:53394 http://www.chembase.cn/molecule-53394.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-hydroxy-8-(2-methoxyethyl)-7-oxo-2-phenyl-7H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate
IUPAC Traditional name
ethyl 5-hydroxy-8-(2-methoxyethyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
Synonyms
Ethyl 5-hydroxy-8-(2-methoxyethyl)-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CAS Number
76360-60-6
MDL Number
MFCD17011966
PubChem SID
162058157
PubChem CID
54727901

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
058193 external link Add to cart Please log in.
Data Source Data ID
PubChem 54727901 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.492174  H Acceptors
H Donor LogD (pH = 5.5) 0.9544145 
LogD (pH = 7.4) -0.139387  Log P 1.9759662 
Molar Refractivity 109.3118 cm3 Polarizability 37.79286 Å3
Polar Surface Area 101.85 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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