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19108-28-2 | 2(1H)-Pyrimidinone, 6-amino-5-[(phenylmethoxy)methyl]-
CAS No: 19108-28-2 Catalog No: AG002F0U MDL No:
Product Description
Catalog Number:
AG002F0U
Chemical Name:
2(1H)-Pyrimidinone, 6-amino-5-[(phenylmethoxy)methyl]-
CAS Number:
19108-28-2
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
6-amino-5-(phenylmethoxymethyl)-1H-pyrimidin-2-one
InChI:
InChI=1S/C12H13N3O2/c13-11-10(6-14-12(16)15-11)8-17-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H3,13,14,15,16)
InChI Key:
CKUGETLNRNTMIP-UHFFFAOYSA-N
SMILES:
O=c1ncc(c([nH]1)N)COCc1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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