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122324-16-7 molecular structure
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2-(morpholin-4-yl)pyrimidine-4,6-diamine

ChemBase ID: 308296
Molecular Formular: C8H13N5O
Molecular Mass: 195.22172
Monoisotopic Mass: 195.11201006
SMILES and InChIs

SMILES:
c1(nc(cc(n1)N)N)N1CCOCC1
Canonical SMILES:
Nc1nc(nc(c1)N)N1CCOCC1
InChI:
InChI=1S/C8H13N5O/c9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H4,9,10,11,12)
InChIKey:
LFNINLGZOWXWNB-UHFFFAOYSA-N

Cite this record

CBID:308296 http://www.chembase.cn/molecule-308296.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(morpholin-4-yl)pyrimidine-4,6-diamine
IUPAC Traditional name
2-(morpholin-4-yl)pyrimidine-4,6-diamine
Synonyms
2-(4-morpholinyl)-4,6-pyrimidinediamine
CAS Number
122324-16-7
MDL Number
MFCD09438668

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2739549  LogD (pH = 7.4) -0.008725973 
Log P 0.14912803  Molar Refractivity 56.1992 cm3
Polarizability 19.333847 Å3 Polar Surface Area 90.29 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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