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N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine

ChemBase ID: 341734
Molecular Formular: C14H21N5
Molecular Mass: 259.35004
Monoisotopic Mass: 259.1796957
SMILES and InChIs

SMILES:
c1(C(Nc2nc(ncc2CC)C)C)c([nH]nc1C)C
Canonical SMILES:
CCc1cnc(nc1NC(c1c(C)n[nH]c1C)C)C
InChI:
InChI=1S/C14H21N5/c1-6-12-7-15-11(5)17-14(12)16-8(2)13-9(3)18-19-10(13)4/h7-8H,6H2,1-5H3,(H,18,19)(H,15,16,17)
InChIKey:
RPDSJUUHHFNSCK-UHFFFAOYSA-N

Cite this record

CBID:341734 http://www.chembase.cn/molecule-341734.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine
IUPAC Traditional name
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine
Synonyms
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-2-methylpyrimidin-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)
Acid pKa 15.014756  H Acceptors
H Donor LogD (pH = 5.5) 1.7532749 
LogD (pH = 7.4) 2.4359362  Log P 2.458485 
Molar Refractivity 79.9562 cm3 Polarizability 28.649681 Å3
Polar Surface Area 66.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.32  LOG S -3.07 
Polar Surface Area 66.49 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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