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89544-96-7 | 4(3H)-Pyrimidinone, 3-[(2-methoxyphenyl)amino]-2,6-dimethyl-
CAS No: 89544-96-7 Catalog No: AG0040GW MDL No:
Product Description
Catalog Number:
AG0040GW
Chemical Name:
4(3H)-Pyrimidinone, 3-[(2-methoxyphenyl)amino]-2,6-dimethyl-
CAS Number:
89544-96-7
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
3-(2-methoxyanilino)-2,6-dimethylpyrimidin-4-one
InChI:
InChI=1S/C13H15N3O2/c1-9-8-13(17)16(10(2)14-9)15-11-6-4-5-7-12(11)18-3/h4-8,15H,1-3H3
InChI Key:
RWAYSKLRSRVJEE-UHFFFAOYSA-N
SMILES:
COc1ccccc1Nn1c(C)nc(cc1=O)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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