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39889-94-6 molecular structure
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2-methylpyrimidin-5-amine

ChemBase ID: 67083
Molecular Formular: C5H7N3
Molecular Mass: 109.12918
Monoisotopic Mass: 109.06399724
SMILES and InChIs

SMILES:
c1(ncc(cn1)N)C
Canonical SMILES:
Nc1cnc(nc1)C
InChI:
InChI=1S/C5H7N3/c1-4-7-2-5(6)3-8-4/h2-3H,6H2,1H3
InChIKey:
VGPRNGGSKJHOFE-UHFFFAOYSA-N

Cite this record

CBID:67083 http://www.chembase.cn/molecule-67083.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylpyrimidin-5-amine
IUPAC Traditional name
2-methylpyrimidin-5-amine
Synonyms
2-METHYL-5-PYRIMIDINAMINE
2-methylpyrimidin-5-amine
5-Amino-2-methylpyrimidine
CAS Number
39889-94-6
MDL Number
MFCD09608109
PubChem SID
162032819
PubChem CID
295764

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.22685196  LogD (pH = 7.4) -0.22600105 
Log P -0.22599019  Molar Refractivity 32.0471 cm3
Polarizability 11.447505 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.175 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
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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