Home > Compound List > Compound details
1074-41-5 molecular structure
click picture or here to close

6-amino-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one

ChemBase ID: 795906
Molecular Formular: C5H7N3OS
Molecular Mass: 157.19358
Monoisotopic Mass: 157.03098286
SMILES and InChIs

SMILES:
c1c(=O)[nH]c(nc1N)SC
Canonical SMILES:
CSc1nc(N)cc(=O)[nH]1
InChI:
InChI=1S/C5H7N3OS/c1-10-5-7-3(6)2-4(9)8-5/h2H,1H3,(H3,6,7,8,9)
InChIKey:
PXYQQKWEFDEUIX-UHFFFAOYSA-N

Cite this record

CBID:795906 http://www.chembase.cn/molecule-795906.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-amino-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one
IUPAC Traditional name
6-amino-2-(methylsulfanyl)-3H-pyrimidin-4-one
Synonyms
6-AMino-2-Methylthio-4[3H]pyriMidinone
CAS Number
1074-41-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1068 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1068 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.6427484  H Acceptors
H Donor LogD (pH = 5.5) 0.36069465 
LogD (pH = 7.4) 0.19466063  Log P 0.36363736 
Molar Refractivity 50.205 cm3 Polarizability 15.178124 Å3
Polar Surface Area 67.48 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle