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

2-AMINO-6-(2-METHYLPROPYL)-3,4-DIHYDROPYRIMIDIN-4-ONE

CAS No.:
134014-12-3
Catalog Number:
AG01EI7B
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
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Product Description
Catalog Number:
AG01EI7B
Chemical Name:
2-AMINO-6-(2-METHYLPROPYL)-3,4-DIHYDROPYRIMIDIN-4-ONE
CAS Number:
134014-12-3
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD20727011
IUPAC Name:
2-amino-6-(2-methylpropyl)-1,3-diazinan-4-one
InChI:
InChI=1S/C8H17N3O/c1-5(2)3-6-4-7(12)11-8(9)10-6/h5-6,8,10H,3-4,9H2,1-2H3,(H,11,12)
InChI Key:
UZQLXTLCHNQSDV-UHFFFAOYSA-N
SMILES:
CC(Cc1[nH]c(N)nc(=O)c1)C
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.137g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
171.244g/mol
Monoisotopic Mass:
171.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties