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870483-87-7 molecular structure
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5-({3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl}methyl)pyrimidine-2,4-diamine

ChemBase ID: 312945
Molecular Formular: C20H22N4O3
Molecular Mass: 366.41368
Monoisotopic Mass: 366.16919058
SMILES and InChIs

SMILES:
n1c(ncc(c1N)Cc1ccc(c(c1)OC)OCc1ccc(cc1)OC)N
Canonical SMILES:
COc1cc(ccc1OCc1ccc(cc1)OC)Cc1cnc(nc1N)N
InChI:
InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)
InChIKey:
MYQAUKPBNJWPIE-UHFFFAOYSA-N

Cite this record

CBID:312945 http://www.chembase.cn/molecule-312945.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-({3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl}methyl)pyrimidine-2,4-diamine
IUPAC Traditional name
5-({3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl}methyl)pyrimidine-2,4-diamine
Synonyms
GW2580
CAS Number
870483-87-7

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Selleck Chemicals S8042 external link Add to cart
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.33932  H Acceptors
H Donor LogD (pH = 5.5) 1.744243 
LogD (pH = 7.4) 2.8202808  Log P 3.0083804 
Molar Refractivity 106.122 cm3 Polarizability 39.316494 Å3
Polar Surface Area 105.51 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
CSF-1R expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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