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762219-70-5 molecular structure
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[2-(methylsulfanyl)pyrimidin-5-yl]methanamine

ChemBase ID: 803599
Molecular Formular: C6H9N3S
Molecular Mass: 155.22076
Monoisotopic Mass: 155.0517183
SMILES and InChIs

SMILES:
C(N)c1cnc(nc1)SC
Canonical SMILES:
CSc1ncc(cn1)CN
InChI:
InChI=1S/C6H9N3S/c1-10-6-8-3-5(2-7)4-9-6/h3-4H,2,7H2,1H3
InChIKey:
RURKOVGIEFADMS-UHFFFAOYSA-N

Cite this record

CBID:803599 http://www.chembase.cn/molecule-803599.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(methylsulfanyl)pyrimidin-5-yl]methanamine
IUPAC Traditional name
[2-(methylsulfanyl)pyrimidin-5-yl]methanamine
Synonyms
1-[2-(METHYLTHIO)PYRIMIDIN-5-YL]METHANAMINE
CAS Number
762219-70-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20293 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20293 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.378771  LogD (pH = 7.4) -0.9680817 
Log P 0.48250705  Molar Refractivity 43.9006 cm3
Polarizability 16.818293 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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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