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4,6-dimethyl-N-[1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]pyrimidin-2-amine

ChemBase ID: 323920
Molecular Formular: C13H19N5
Molecular Mass: 245.32346
Monoisotopic Mass: 245.16404563
SMILES and InChIs

SMILES:
c1(nc(cc(n1)C)C)NC(Cc1[nH]nc(c1)C)C
Canonical SMILES:
CC(Nc1nc(C)cc(n1)C)Cc1[nH]nc(c1)C
InChI:
InChI=1S/C13H19N5/c1-8-5-9(2)15-13(14-8)16-10(3)6-12-7-11(4)17-18-12/h5,7,10H,6H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKey:
LRZBEZTZQDLJAJ-UHFFFAOYSA-N

Cite this record

CBID:323920 http://www.chembase.cn/molecule-323920.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dimethyl-N-[1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]pyrimidin-2-amine
IUPAC Traditional name
4,6-dimethyl-N-[1-(5-methyl-2H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine
Synonyms
4,6-dimethyl-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11501186 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 15.005936  H Acceptors
H Donor LogD (pH = 5.5) 0.8563073 
LogD (pH = 7.4) 1.0181015  Log P 1.0206031 
Molar Refractivity 74.0983 cm3 Polarizability 26.814613 Å3
Polar Surface Area 66.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.04  LOG S -2.73 
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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