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446829-97-6 molecular structure
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(4,6-dimethylpyrimidin-2-yl)methanamine

ChemBase ID: 306644
Molecular Formular: C7H11N3
Molecular Mass: 137.18234
Monoisotopic Mass: 137.09529737
SMILES and InChIs

SMILES:
n1c(nc(cc1C)C)CN
Canonical SMILES:
NCc1nc(C)cc(n1)C
InChI:
InChI=1S/C7H11N3/c1-5-3-6(2)10-7(4-8)9-5/h3H,4,8H2,1-2H3
InChIKey:
JBZOSEGGQJXUQN-UHFFFAOYSA-N

Cite this record

CBID:306644 http://www.chembase.cn/molecule-306644.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4,6-dimethylpyrimidin-2-yl)methanamine
IUPAC Traditional name
(4,6-dimethylpyrimidin-2-yl)methanamine
Synonyms
1-(4,6-dimethylpyrimidin-2-yl)methanamine
(4,6-DIMETHYLPYRIMIDIN-2-YL)METHANAMINE
CAS Number
446829-97-6
MDL Number
MFCD03011604

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) -2.1439884  LogD (pH = 7.4) -0.45022562 
Log P 0.046685293  Molar Refractivity 39.8894 cm3
Polarizability 15.429368 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

INTERNET

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