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68006-07-5 molecular structure
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2,6-bis[bis(2-hydroxyethyl)amino]-8-(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-4-ol

ChemBase ID: 166652
Molecular Formular: C19H31N7O5
Molecular Mass: 437.49334
Monoisotopic Mass: 437.23866713
SMILES and InChIs

SMILES:
n1c(nc2c(c1N1CCCCC1)nc(nc2O)N(CCO)CCO)N(CCO)CCO
Canonical SMILES:
OCCN(c1nc(N2CCCCC2)c2c(n1)c(O)nc(n2)N(CCO)CCO)CCO
InChI:
InChI=1S/C19H31N7O5/c27-10-6-25(7-11-28)18-21-15-14(16(22-18)24-4-2-1-3-5-24)20-19(23-17(15)31)26(8-12-29)9-13-30/h27-30H,1-13H2,(H,20,23,31)
InChIKey:
HRCDJNOCBFGVQY-UHFFFAOYSA-N

Cite this record

CBID:166652 http://www.chembase.cn/molecule-166652.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-bis[bis(2-hydroxyethyl)amino]-8-(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-4-ol
IUPAC Traditional name
2,6-bis[bis(2-hydroxyethyl)amino]-8-(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-4-ol
Synonyms
2,6-Bis[bis(2-hydroxyethyl)amino]-8-(1-piperidinyl)pyrimido[5,4-d]pyrimidin-4(3H)-one
4-Despiperidinyl-4-hydroxy Dipyridamole
CAS Number
68006-07-5
PubChem SID
162260785
PubChem CID
71315815

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC D297200 external link Add to cart
PubChem 71315815 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 71315815 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.275686  H Acceptors 12 
H Donor LogD (pH = 5.5) 0.52213067 
LogD (pH = 7.4) 0.54406667  Log P 0.5444139 
Molar Refractivity 118.1897 cm3 Polarizability 44.07944 Å3
Polar Surface Area 162.43 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D297200 external link
A degradation product of Dipyridamole (D492625). Dipyridamole impurity.

REFERENCES

REFERENCES

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  • • Wasilewska, L., et al.: Acta Poloniae Pharma., 35, 215 (1978)
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PATENTS

PATENTS

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INTERNET

INTERNET

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