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19152-93-3 molecular structure
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2,4-diamino-6-phenylpteridin-7-ol

ChemBase ID: 166664
Molecular Formular: C12H10N6O
Molecular Mass: 254.2474
Monoisotopic Mass: 254.09160897
SMILES and InChIs

SMILES:
c1(nc(nc2c1nc(c(n2)O)c1ccccc1)N)N
Canonical SMILES:
Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)O
InChI:
InChI=1S/C12H10N6O/c13-9-8-10(18-12(14)16-9)17-11(19)7(15-8)6-4-2-1-3-5-6/h1-5H,(H5,13,14,16,17,18,19)
InChIKey:
USTXKGPQJJRCTO-UHFFFAOYSA-N

Cite this record

CBID:166664 http://www.chembase.cn/molecule-166664.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-diamino-6-phenylpteridin-7-ol
IUPAC Traditional name
2,4-diamino-6-phenylpteridin-7-ol
Synonyms
2,4-Diamino-6-phenyl-7(1H)-pteridinone
2,4-Diamino-7-hydroxy-6-phenylpteridine
NSC 33416
Triamterine Impurity C
Triamterene Inpurity C
2,4-Diamino-6-phenyl-7-pteridinol
CAS Number
19152-93-3
PubChem SID
162260797
PubChem CID
5355356

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D416575 external link Add to cart
PubChem 5355356 external link
Data Source Data ID Price
TRC
D416575 external link Add to cart Please log in.
Data Source Data ID
PubChem 5355356 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.787185  H Acceptors
H Donor LogD (pH = 5.5) 1.6398274 
LogD (pH = 7.4) 1.6381805  Log P 1.6399322 
Molar Refractivity 72.4064 cm3 Polarizability 27.434317 Å3
Polar Surface Area 123.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

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 - D416575 external link
Triamterine impurity C

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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