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2-{4-[(dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}pyrimidine

ChemBase ID: 420061
Molecular Formular: C14H19N5S
Molecular Mass: 289.39916
Monoisotopic Mass: 289.13611663
SMILES and InChIs

SMILES:
c1(sc(nc1C)C)CN1CCN(c2ncccn2)CC1
Canonical SMILES:
Cc1nc(c(s1)CN1CCN(CC1)c1ncccn1)C
InChI:
InChI=1S/C14H19N5S/c1-11-13(20-12(2)17-11)10-18-6-8-19(9-7-18)14-15-4-3-5-16-14/h3-5H,6-10H2,1-2H3
InChIKey:
TWMDRUIQHOJNOZ-UHFFFAOYSA-N

Cite this record

CBID:420061 http://www.chembase.cn/molecule-420061.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{4-[(dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}pyrimidine
IUPAC Traditional name
2-{4-[(dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}pyrimidine
Synonyms
2-{4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-piperazinyl}pyrimidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -0.33520585  LogD (pH = 7.4) 1.2043405 
Log P 1.4538251  Molar Refractivity 81.7843 cm3
Polarizability 30.578833 Å3 Polar Surface Area 45.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.89  LOG S -2.2 
Polar Surface Area 45.15 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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