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6-[3-(morpholin-4-ylmethyl)phenyl]-2-(pyrrolidin-1-yl)pyrimidin-4-amine

ChemBase ID: 360028
Molecular Formular: C19H25N5O
Molecular Mass: 339.4347
Monoisotopic Mass: 339.20591045
SMILES and InChIs

SMILES:
c1(nc(cc(n1)c1cc(CN2CCOCC2)ccc1)N)N1CCCC1
Canonical SMILES:
Nc1nc(nc(c1)c1cccc(c1)CN1CCOCC1)N1CCCC1
InChI:
InChI=1S/C19H25N5O/c20-18-13-17(21-19(22-18)24-6-1-2-7-24)16-5-3-4-15(12-16)14-23-8-10-25-11-9-23/h3-5,12-13H,1-2,6-11,14H2,(H2,20,21,22)
InChIKey:
ZEGUNNHLDBXBNA-UHFFFAOYSA-N

Cite this record

CBID:360028 http://www.chembase.cn/molecule-360028.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-[3-(morpholin-4-ylmethyl)phenyl]-2-(pyrrolidin-1-yl)pyrimidin-4-amine
IUPAC Traditional name
6-[3-(morpholin-4-ylmethyl)phenyl]-2-(pyrrolidin-1-yl)pyrimidin-4-amine
Synonyms
6-[3-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine

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) 0.2501806  LogD (pH = 7.4) 2.545336 
Log P 2.7638664  Molar Refractivity 102.0332 cm3
Polarizability 39.10438 Å3 Polar Surface Area 67.51 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.18  LOG S -2.53 
Polar Surface Area 67.51 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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