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1133115-58-8 | Methyl 2-amino-4-(p-tolyl);pyrimidine-5-carboxylate
CAS No: 1133115-58-8 Catalog No: AG003RMO MDL No:MFCD11855875
Product Description
Catalog Number:
AG003RMO
Chemical Name:
Methyl 2-amino-4-(p-tolyl);pyrimidine-5-carboxylate
CAS Number:
1133115-58-8
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
MDL Number:
MFCD11855875
IUPAC Name:
methyl 2-amino-4-(4-methylphenyl)pyrimidine-5-carboxylate
InChI:
InChI=1S/C13H13N3O2/c1-8-3-5-9(6-4-8)11-10(12(17)18-2)7-15-13(14)16-11/h3-7H,1-2H3,(H2,14,15,16)
InChI Key:
RURVMBMZJVLGHL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(nc1c1ccc(cc1)C)N
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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