Home Other Building Blocks 1-(4-methoxypyrimidin-2-yl)-1,4-diazepane

1-(4-methoxypyrimidin-2-yl)-1,4-diazepane

CAS No.:
926188-80-9
Catalog Number:
AG01A8TP
Molecular Formula:
C10H16N4O
Molecular Weight:
208.2602
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Product Description
Catalog Number:
AG01A8TP
Chemical Name:
1-(4-methoxypyrimidin-2-yl)-1,4-diazepane
CAS Number:
926188-80-9
Molecular Formula:
C10H16N4O
Molecular Weight:
208.2602
MDL Number:
MFCD09049854
IUPAC Name:
1-(4-methoxypyrimidin-2-yl)-1,4-diazepane
InChI:
InChI=1S/C10H16N4O/c1-15-9-3-5-12-10(13-9)14-7-2-4-11-6-8-14/h3,5,11H,2,4,6-8H2,1H3
InChI Key:
UNNMAGOIVGASDQ-UHFFFAOYSA-N
SMILES:
COc1ccnc(n1)N1CCNCCC1
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.132g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.265g/mol
Monoisotopic Mass:
208.132g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties