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6-[(1E)-pent-1-en-1-yl]-N-(propan-2-yl)pyrimidin-4-amine

ChemBase ID: 460056
Molecular Formular: C12H19N3
Molecular Mass: 205.29936
Monoisotopic Mass: 205.15789762
SMILES and InChIs

SMILES:
c1(ncnc(c1)/C=C/CCC)NC(C)C
Canonical SMILES:
CCC/C=C/c1ncnc(c1)NC(C)C
InChI:
InChI=1S/C12H19N3/c1-4-5-6-7-11-8-12(14-9-13-11)15-10(2)3/h6-10H,4-5H2,1-3H3,(H,13,14,15)/b7-6+
InChIKey:
GBKVWMFNBRUOJH-VOTSOKGWSA-N

Cite this record

CBID:460056 http://www.chembase.cn/molecule-460056.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-[(1E)-pent-1-en-1-yl]-N-(propan-2-yl)pyrimidin-4-amine
IUPAC Traditional name
N-isopropyl-6-[(1E)-pent-1-en-1-yl]pyrimidin-4-amine
Synonyms
N-isopropyl-6-[(1E)-pent-1-en-1-yl]pyrimidin-4-amine

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

供应商提供(Chembridge) JChem
Rotatable Bonds H Acceptors
H Donor Log P 3.65 
LOG S -3.81  Polar Surface Area 37.81 Å2
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 2.965657 
LogD (pH = 7.4) 3.1338482  Log P 3.1364896 
Molar Refractivity 66.5117 cm3 Polarizability 24.249796 Å3
Polar Surface Area 37.81 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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