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1380432-32-5 molecular structure
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N4-(9-ethyl-9H-carbazol-3-yl)-N2-[3-(morpholin-4-yl)propyl]pyrimidine-2,4-diamine

ChemBase ID: 313078
Molecular Formular: C25H30N6O
Molecular Mass: 430.5453
Monoisotopic Mass: 430.24810961
SMILES and InChIs

SMILES:
c1(nc(ccn1)Nc1ccc2n(c3c(c2c1)cccc3)CC)NCCCN1CCOCC1
Canonical SMILES:
CCn1c2ccc(cc2c2c1cccc2)Nc1ccnc(n1)NCCCN1CCOCC1
InChI:
InChI=1S/C25H30N6O/c1-2-31-22-7-4-3-6-20(22)21-18-19(8-9-23(21)31)28-24-10-12-27-25(29-24)26-11-5-13-30-14-16-32-17-15-30/h3-4,6-10,12,18H,2,5,11,13-17H2,1H3,(H2,26,27,28,29)
InChIKey:
AFTZZRFCMOAFCR-UHFFFAOYSA-N

Cite this record

CBID:313078 http://www.chembase.cn/molecule-313078.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N4-(9-ethyl-9H-carbazol-3-yl)-N2-[3-(morpholin-4-yl)propyl]pyrimidine-2,4-diamine
IUPAC Traditional name
N4-(9-ethylcarbazol-3-yl)-N2-[3-(morpholin-4-yl)propyl]pyrimidine-2,4-diamine
Synonyms
EHop-016
CAS Number
1380432-32-5

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Selleck Chemicals S7319 external link Add to cart
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.582783  H Acceptors
H Donor LogD (pH = 5.5) 1.705835 
LogD (pH = 7.4) 3.63899  Log P 3.7939105 
Molar Refractivity 130.6803 cm3 Polarizability 51.146954 Å3
Polar Surface Area 67.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
Rac expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

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