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186454-70-6 | 4-Aminofuro[2,3-d]pyrimidine
CAS No: 186454-70-6 Catalog No: AG00387N MDL No:MFCD09834959
Product Description
Catalog Number:
AG00387N
Chemical Name:
4-Aminofuro[2,3-d]pyrimidine
CAS Number:
186454-70-6
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
MDL Number:
MFCD09834959
IUPAC Name:
furo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C6H5N3O/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H,(H2,7,8,9)
InChI Key:
JPIPZNJBXFDXHH-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1cco2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| The discovery of novel vascular endothelial growth factor receptor tyrosine kinases inhibitors: pharmacophore modeling, virtual screening and docking studies. | Chemical biology & drug design 20070301 |
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