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5-[4-(propan-2-yloxy)phenyl]pyrimidin-2-amine

ChemBase ID: 460116
Molecular Formular: C13H15N3O
Molecular Mass: 229.2777
Monoisotopic Mass: 229.12151212
SMILES and InChIs

SMILES:
c1(ncc(c2ccc(OC(C)C)cc2)cn1)N
Canonical SMILES:
CC(Oc1ccc(cc1)c1cnc(nc1)N)C
InChI:
InChI=1S/C13H15N3O/c1-9(2)17-12-5-3-10(4-6-12)11-7-15-13(14)16-8-11/h3-9H,1-2H3,(H2,14,15,16)
InChIKey:
QXBPTLXKQOMSPC-UHFFFAOYSA-N

Cite this record

CBID:460116 http://www.chembase.cn/molecule-460116.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[4-(propan-2-yloxy)phenyl]pyrimidin-2-amine
IUPAC Traditional name
5-(4-isopropoxyphenyl)pyrimidin-2-amine
Synonyms
5-(4-isopropoxyphenyl)pyrimidin-2-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 32286639 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 16.854147  H Acceptors
H Donor LogD (pH = 5.5) 2.1605651 
LogD (pH = 7.4) 2.1625078  Log P 2.1625326 
Molar Refractivity 68.1355 cm3 Polarizability 26.844477 Å3
Polar Surface Area 61.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.45  LOG S -2.96 
Polar Surface Area 61.03 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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