Home Other Building Blocks 6-AMINO-2-(OXAN-4-YL)-3,4-DIHYDROPYRIMIDIN-4-ONE

6-AMINO-2-(OXAN-4-YL)-3,4-DIHYDROPYRIMIDIN-4-ONE

CAS No.:
1488002-44-3
Catalog Number:
AG01DVDF
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
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Product Description
Catalog Number:
AG01DVDF
Chemical Name:
6-AMINO-2-(OXAN-4-YL)-3,4-DIHYDROPYRIMIDIN-4-ONE
CAS Number:
1488002-44-3
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD21296007
IUPAC Name:
4-amino-2-(oxan-4-yl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C9H13N3O2/c10-7-5-8(13)12-9(11-7)6-1-3-14-4-2-6/h5-6H,1-4H2,(H3,10,11,12,13)
InChI Key:
WGGDGYFPXMZJCA-UHFFFAOYSA-N
SMILES:
Nc1nc([nH]c(=O)c1)C1CCOCC1
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties