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1159818-06-0 molecular structure
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6-(propan-2-yl)pyrimidin-4-amine

ChemBase ID: 309226
Molecular Formular: C7H11N3
Molecular Mass: 137.18234
Monoisotopic Mass: 137.09529737
SMILES and InChIs

SMILES:
c1c(ncnc1N)C(C)C
Canonical SMILES:
CC(c1ncnc(c1)N)C
InChI:
InChI=1S/C7H11N3/c1-5(2)6-3-7(8)10-4-9-6/h3-5H,1-2H3,(H2,8,9,10)
InChIKey:
ZVKFQZPWQXBUOJ-UHFFFAOYSA-N

Cite this record

CBID:309226 http://www.chembase.cn/molecule-309226.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(propan-2-yl)pyrimidin-4-amine
IUPAC Traditional name
6-isopropylpyrimidin-4-amine
Synonyms
4-AMINO-6-(ISO-PROPYL)PYRIMIDINE
6-isopropyl-4-pyrimidinamine
CAS Number
1159818-06-0
MDL Number
MFCD09909800

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 0.686752  LogD (pH = 7.4) 1.1780663 
Log P 1.1901593  Molar Refractivity 41.5291 cm3
Polarizability 15.117772 Å3 Polar Surface Area 51.8 Å2

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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