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73955-55-2 molecular structure
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methyl 2-methylpyrimidine-4-carboxylate

ChemBase ID: 289023
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
O=C(c1nc(C)ncc1)OC
Canonical SMILES:
COC(=O)c1ccnc(n1)C
InChI:
InChI=1S/C7H8N2O2/c1-5-8-4-3-6(9-5)7(10)11-2/h3-4H,1-2H3
InChIKey:
HEUBBCMIYRXETJ-UHFFFAOYSA-N

Cite this record

CBID:289023 http://www.chembase.cn/molecule-289023.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-methylpyrimidine-4-carboxylate
IUPAC Traditional name
methyl 2-methylpyrimidine-4-carboxylate
Synonyms
Methyl 2-methylpyrimidine-4-carboxylate
CAS Number
73955-55-2
MDL Number
MFCD13174780
PubChem SID
180674554
PubChem CID
12946332

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD215952 Please log in.
Data Source Data ID
PubChem 12946332 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5972809  LogD (pH = 7.4) 0.5973048 
Log P 0.5973051  Molar Refractivity 39.0 cm3
Polarizability 14.780528 Å3 Polar Surface Area 52.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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