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90856-77-2 molecular structure
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4,6-dimethylpyrimidin-5-amine

ChemBase ID: 286899
Molecular Formular: C6H9N3
Molecular Mass: 123.15576
Monoisotopic Mass: 123.0796473
SMILES and InChIs

SMILES:
Nc1c(C)ncnc1C
Canonical SMILES:
Cc1ncnc(c1N)C
InChI:
InChI=1S/C6H9N3/c1-4-6(7)5(2)9-3-8-4/h3H,7H2,1-2H3
InChIKey:
NBUHTTJGQKIBMR-UHFFFAOYSA-N

Cite this record

CBID:286899 http://www.chembase.cn/molecule-286899.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dimethylpyrimidin-5-amine
IUPAC Traditional name
4,6-dimethylpyrimidin-5-amine
Synonyms
4,6-Dimethylpyrimidin-5-amine
CAS Number
90856-77-2
PubChem SID
180672430
PubChem CID
15585338

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD105336 Please log in.
Data Source Data ID
PubChem 15585338 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.52283293  LogD (pH = 7.4) -0.5165311 
Log P -0.51645017  Molar Refractivity 36.6057 cm3
Polarizability 13.207694 Å3 Polar Surface Area 51.8 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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