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13050-73-2 | Acetamide, N-[3-(2-amino-1,6-dihydro-4-methyl-6-oxo-5-pyrimidinyl)propyl]-N-(phenylmethyl)-
CAS No: 13050-73-2 Catalog No: AG000UIH MDL No:
Product Description
Catalog Number:
AG000UIH
Chemical Name:
Acetamide, N-[3-(2-amino-1,6-dihydro-4-methyl-6-oxo-5-pyrimidinyl)propyl]-N-(phenylmethyl)-
CAS Number:
13050-73-2
Molecular Formula:
C17H22N4O2
Molecular Weight:
314.3822
IUPAC Name:
N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]-N-benzylacetamide
InChI:
InChI=1S/C17H22N4O2/c1-12-15(16(23)20-17(18)19-12)9-6-10-21(13(2)22)11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3,(H3,18,19,20,23)
InChI Key:
SPIBGLNZQBNZFR-UHFFFAOYSA-N
SMILES:
CC(=O)N(Cc1ccccc1)CCCc1c(C)nc([nH]c1=O)N
NSC Number:
211070
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.389g/mol
Monoisotopic Mass:
314.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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