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N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(pyridin-3-yl)pyrimidin-2-amine

ChemBase ID: 410302
Molecular Formular: C16H17N5S
Molecular Mass: 311.40468
Monoisotopic Mass: 311.12046657
SMILES and InChIs

SMILES:
n1c(nccc1c1cnccc1)NCCCc1c(ncs1)C
Canonical SMILES:
Cc1ncsc1CCCNc1nccc(n1)c1cccnc1
InChI:
InChI=1S/C16H17N5S/c1-12-15(22-11-20-12)5-3-8-18-16-19-9-6-14(21-16)13-4-2-7-17-10-13/h2,4,6-7,9-11H,3,5,8H2,1H3,(H,18,19,21)
InChIKey:
QSAZJTUDYHOVAF-UHFFFAOYSA-N

Cite this record

CBID:410302 http://www.chembase.cn/molecule-410302.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(pyridin-3-yl)pyrimidin-2-amine
IUPAC Traditional name
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(pyridin-3-yl)pyrimidin-2-amine
Synonyms
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(3-pyridinyl)-2-pyrimidinamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.761709  H Acceptors
H Donor LogD (pH = 5.5) 2.3684251 
LogD (pH = 7.4) 2.3966389  Log P 2.3970082 
Molar Refractivity 89.176 cm3 Polarizability 34.30024 Å3
Polar Surface Area 63.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.99  LOG S -4.24 
Polar Surface Area 63.59 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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