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MFCD00276609 molecular structure
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2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol

ChemBase ID: 92057
Molecular Formular: C8H13N3O
Molecular Mass: 167.20832
Monoisotopic Mass: 167.10586205
SMILES and InChIs

SMILES:
n1c(nc(c(c1O)C)C)N(C)C
Canonical SMILES:
CN(c1nc(C)c(c(n1)O)C)C
InChI:
InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)
InChIKey:
MUEHLDAHWSCFAG-UHFFFAOYSA-N

Cite this record

CBID:92057 http://www.chembase.cn/molecule-92057.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol
IUPAC Traditional name
2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol
Synonyms
4,5-Dimethyl-2-(N,N-dimethylamino)-6-hydroxypyrimidine 97%
MDL Number
MFCD00276609
PubChem SID
162078755
PubChem CID
93225

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR8303 external link Add to cart Please log in.
Data Source Data ID
PubChem 93225 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 49.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 13.535001 
H Acceptors H Donor
LogD (pH = 5.5) 1.772065  LogD (pH = 7.4) 1.7722465 
Log P 1.7722491  Molar Refractivity 49.024 cm3
Polarizability 17.510107 Å3

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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