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42382-46-7 molecular structure
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2-(methylsulfanyl)pyrimidin-5-amine

ChemBase ID: 803768
Molecular Formular: C5H7N3S
Molecular Mass: 141.19418
Monoisotopic Mass: 141.03606824
SMILES and InChIs

SMILES:
c1(cnc(nc1)SC)N
Canonical SMILES:
CSc1ncc(cn1)N
InChI:
InChI=1S/C5H7N3S/c1-9-5-7-2-4(6)3-8-5/h2-3H,6H2,1H3
InChIKey:
NRJNAXLXHFQYEX-UHFFFAOYSA-N

Cite this record

CBID:803768 http://www.chembase.cn/molecule-803768.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(methylsulfanyl)pyrimidin-5-amine
IUPAC Traditional name
2-(methylsulfanyl)pyrimidin-5-amine
Synonyms
2-(METHYLTHIO)-5-PYRIMIDINAMINE
CAS Number
42382-46-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20478 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20478 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) 0.5276878  LogD (pH = 7.4) 0.5278111 
Log P 0.52781266  Molar Refractivity 40.1276 cm3
Polarizability 14.599614 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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