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2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidin-1-yl]-4,6-dimethylpyrimidine

ChemBase ID: 322022
Molecular Formular: C14H19N5
Molecular Mass: 257.33416
Monoisotopic Mass: 257.16404563
SMILES and InChIs

SMILES:
n1(C2CN(c3nc(cc(n3)C)C)C2)nc(cc1C)C
Canonical SMILES:
Cc1cc(C)nc(n1)N1CC(C1)n1nc(cc1C)C
InChI:
InChI=1S/C14H19N5/c1-9-5-10(2)16-14(15-9)18-7-13(8-18)19-12(4)6-11(3)17-19/h5-6,13H,7-8H2,1-4H3
InChIKey:
SCYKNLWIIUWNGD-UHFFFAOYSA-N

Cite this record

CBID:322022 http://www.chembase.cn/molecule-322022.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidin-1-yl]-4,6-dimethylpyrimidine
IUPAC Traditional name
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4,6-dimethylpyrimidine
Synonyms
2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidin-1-yl]-4,6-dimethylpyrimidine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11229495 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) 1.4370764  LogD (pH = 7.4) 1.5464755 
Log P 1.5480602  Molar Refractivity 86.7147 cm3
Polarizability 27.849094 Å3 Polar Surface Area 46.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.14  LOG S -2.05 
Polar Surface Area 46.84 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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