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N-(3-methoxy-3-methylbutyl)-6-(propan-2-yl)pyrimidin-4-amine

ChemBase ID: 420033
Molecular Formular: C13H23N3O
Molecular Mass: 237.34122
Monoisotopic Mass: 237.18411237
SMILES and InChIs

SMILES:
c1c(ncnc1NCCC(OC)(C)C)C(C)C
Canonical SMILES:
COC(CCNc1ncnc(c1)C(C)C)(C)C
InChI:
InChI=1S/C13H23N3O/c1-10(2)11-8-12(16-9-15-11)14-7-6-13(3,4)17-5/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKey:
XPHRITLLFFECIR-UHFFFAOYSA-N

Cite this record

CBID:420033 http://www.chembase.cn/molecule-420033.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-methoxy-3-methylbutyl)-6-(propan-2-yl)pyrimidin-4-amine
IUPAC Traditional name
6-isopropyl-N-(3-methoxy-3-methylbutyl)pyrimidin-4-amine
Synonyms
6-isopropyl-N-(3-methoxy-3-methylbutyl)pyrimidin-4-amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 25912442 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)
H Acceptors H Donor
LogD (pH = 5.5) 1.7723142  LogD (pH = 7.4) 2.1926816 
Log P 2.2019994  Molar Refractivity 71.9884 cm3
Polarizability 26.859236 Å3 Polar Surface Area 47.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.61  LOG S -3.16 
Polar Surface Area 47.04 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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