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2-{2-[(3-methoxyphenyl)methyl]morpholin-4-yl}-5-methylpyrimidin-4-amine

ChemBase ID: 370306
Molecular Formular: C17H22N4O2
Molecular Mass: 314.38218
Monoisotopic Mass: 314.17427596
SMILES and InChIs

SMILES:
n1c(N2CC(OCC2)Cc2cc(OC)ccc2)ncc(c1N)C
Canonical SMILES:
COc1cccc(c1)CC1OCCN(C1)c1ncc(c(n1)N)C
InChI:
InChI=1S/C17H22N4O2/c1-12-10-19-17(20-16(12)18)21-6-7-23-15(11-21)9-13-4-3-5-14(8-13)22-2/h3-5,8,10,15H,6-7,9,11H2,1-2H3,(H2,18,19,20)
InChIKey:
DZUWXENLISOJFA-UHFFFAOYSA-N

Cite this record

CBID:370306 http://www.chembase.cn/molecule-370306.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{2-[(3-methoxyphenyl)methyl]morpholin-4-yl}-5-methylpyrimidin-4-amine
IUPAC Traditional name
2-{2-[(3-methoxyphenyl)methyl]morpholin-4-yl}-5-methylpyrimidin-4-amine
Synonyms
2-[2-(3-methoxybenzyl)-4-morpholinyl]-5-methyl-4-pyrimidinamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.6662545  LogD (pH = 7.4) 2.6998198 
Log P 2.812248  Molar Refractivity 91.7275 cm3
Polarizability 33.78813 Å3 Polar Surface Area 73.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.12  LOG S -4.16 
Polar Surface Area 73.5 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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