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1150163-80-6 | 5-Pyrimidinecarboxylic acid, 2-amino-1,2-dihydro-4-phenyl-, methyl ester
CAS No: 1150163-80-6 Catalog No: AG000FO5 MDL No:MFCD15202240
Product Description
Catalog Number:
AG000FO5
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-amino-1,2-dihydro-4-phenyl-, methyl ester
CAS Number:
1150163-80-6
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD15202240
IUPAC Name:
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
InChI:
InChI=1S/C12H11N3O2/c1-17-11(16)9-7-14-12(13)15-10(9)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14,15)
InChI Key:
DOQPFYCCCSWUPD-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CNC(N=C1c1ccccc1)N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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