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32267-39-3 molecular structure
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diaminopyrimidine-4,5-diol

ChemBase ID: 127170
Molecular Formular: C4H6N4O2
Molecular Mass: 142.11604
Monoisotopic Mass: 142.04907545
SMILES and InChIs

SMILES:
Oc1c(O)c(N)nc(N)n1
Canonical SMILES:
Nc1nc(N)c(c(n1)O)O
InChI:
InChI=1S/C4H6N4O2/c5-2-1(9)3(10)8-4(6)7-2/h9H,(H5,5,6,7,8,10)
InChIKey:
ZMWZGZSARWJATP-UHFFFAOYSA-N

Cite this record

CBID:127170 http://www.chembase.cn/molecule-127170.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diaminopyrimidine-4,5-diol
IUPAC Traditional name
divicine
Synonyms
2,6-diamino-4,5-pyrimidinediol
2,6-diamine-5-hydroxy-4(3H)-pyrimidinone
2,4-diamino-5,6-dihydroxypyrimidine
Divicine
CAS Number
32267-39-3
PubChem SID
162221492
PubChem CID
3741354
91606
Chemspider ID
2971290
Wikipedia Title
Divicine

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.751514  H Acceptors
H Donor LogD (pH = 5.5) -0.35365325 
LogD (pH = 7.4) -0.34781498  Log P -0.347546 
Molar Refractivity 36.6579 cm3 Polarizability 12.201909 Å3
Polar Surface Area 118.28 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Solubility
Soluble in 10% KOH in water expand Show data source
Apperance
Brownish needles expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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