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16018-49-8 | Guanidine, N-(4,6-dimethyl-2-pyrimidinyl)-N'-phenyl-
CAS No: 16018-49-8 Catalog No: AG001RQT MDL No:MFCD00791546
Product Description
Catalog Number:
AG001RQT
Chemical Name:
Guanidine, N-(4,6-dimethyl-2-pyrimidinyl)-N'-phenyl-
CAS Number:
16018-49-8
Molecular Formula:
C13H15N5
Molecular Weight:
241.2917
MDL Number:
MFCD00791546
IUPAC Name:
2-(4,6-dimethylpyrimidin-2-yl)-1-phenylguanidine
InChI:
InChI=1S/C13H15N5/c1-9-8-10(2)16-13(15-9)18-12(14)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H3,14,15,16,17,18)
InChI Key:
VPUNGERWGVXPEK-UHFFFAOYSA-N
SMILES:
N=C(Nc1nc(C)cc(n1)C)Nc1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.133g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.298g/mol
Monoisotopic Mass:
241.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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