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26664-09-5 molecular structure
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4-amino-2-methoxypyrimidine-5-carbaldehyde

ChemBase ID: 807658
Molecular Formular: C6H7N3O2
Molecular Mass: 153.13868
Monoisotopic Mass: 153.05382648
SMILES and InChIs

SMILES:
c1(c(nc(nc1)OC)N)C=O
Canonical SMILES:
COc1ncc(c(n1)N)C=O
InChI:
InChI=1S/C6H7N3O2/c1-11-6-8-2-4(3-10)5(7)9-6/h2-3H,1H3,(H2,7,8,9)
InChIKey:
RFFAVLVDZBFXHO-UHFFFAOYSA-N

Cite this record

CBID:807658 http://www.chembase.cn/molecule-807658.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-2-methoxypyrimidine-5-carbaldehyde
IUPAC Traditional name
4-amino-2-methoxypyrimidine-5-carbaldehyde
Synonyms
4-AMINO-2-METHOXY-5-PYRIMIDINECARBOXALDEHYDE
CAS Number
26664-09-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25793 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25793 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.189838  H Acceptors
H Donor LogD (pH = 5.5) 0.69085544 
LogD (pH = 7.4) 0.6987821  Log P 0.6988841 
Molar Refractivity 40.7294 cm3 Polarizability 14.186716 Å3
Polar Surface Area 78.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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