Home Aminos tert-butyl N-{[2-(aminomethyl)-6-hydroxypyrimidin-4-yl]methyl}carbamate

tert-butyl N-{[2-(aminomethyl)-6-hydroxypyrimidin-4-yl]methyl}carbamate

CAS No.:
2031260-98-5
Catalog Number:
AG01B3YW
Molecular Formula:
C11H18N4O3
Molecular Weight:
254.2856
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Product Description
Catalog Number:
AG01B3YW
Chemical Name:
tert-butyl N-{[2-(aminomethyl)-6-hydroxypyrimidin-4-yl]methyl}carbamate
CAS Number:
2031260-98-5
Molecular Formula:
C11H18N4O3
Molecular Weight:
254.2856
MDL Number:
MFCD30344882
IUPAC Name:
tert-butyl N-[[2-(aminomethyl)-6-oxo-1H-pyrimidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C11H18N4O3/c1-11(2,3)18-10(17)13-6-7-4-9(16)15-8(5-12)14-7/h4H,5-6,12H2,1-3H3,(H,13,17)(H,14,15,16)
InChI Key:
XAQWWROALKDYIZ-UHFFFAOYSA-N
SMILES:
NCc1nc(CNC(=O)OC(C)(C)C)cc(n1)O
Properties
Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.138g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
254.29g/mol
Monoisotopic Mass:
254.138g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties