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386715-39-5 molecular structure
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2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid

ChemBase ID: 10134
Molecular Formular: C9H14N4O2
Molecular Mass: 210.23306
Monoisotopic Mass: 210.11167571
SMILES and InChIs

SMILES:
c1c(nc(nc1N(C)C)N(C)C)C(=O)O
Canonical SMILES:
CN(c1nc(nc(c1)C(=O)O)N(C)C)C
InChI:
InChI=1S/C9H14N4O2/c1-12(2)7-5-6(8(14)15)10-9(11-7)13(3)4/h5H,1-4H3,(H,14,15)
InChIKey:
DWPRJVXKQCFURP-UHFFFAOYSA-N

Cite this record

CBID:10134 http://www.chembase.cn/molecule-10134.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid
IUPAC Traditional name
2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid
Synonyms
2,4-Bis(dimethylamino)pyrimidine-6-carboxylic acid
CAS Number
386715-39-5
MDL Number
MFCD01568143
PubChem SID
160973441
PubChem CID
2735518

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
006882 external link Add to cart Please log in.
Data Source Data ID
PubChem 2735518 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.266182  H Acceptors
H Donor LogD (pH = 5.5) -0.49506503 
LogD (pH = 7.4) -0.6428235  Log P -0.49330285 
Molar Refractivity 58.7232 cm3 Polarizability 20.586506 Å3
Polar Surface Area 69.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
164-168°C expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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