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89112-37-8 | Phenol, 2-[2-amino-6-(3-methoxyphenyl)-4-pyrimidinyl]-4-methyl-
CAS No: 89112-37-8 Catalog No: AG003ZT4 MDL No:
Product Description
Catalog Number:
AG003ZT4
Chemical Name:
Phenol, 2-[2-amino-6-(3-methoxyphenyl)-4-pyrimidinyl]-4-methyl-
CAS Number:
89112-37-8
Molecular Formula:
C18H17N3O2
Molecular Weight:
307.3465
IUPAC Name:
2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-4-methylphenol
InChI:
InChI=1S/C18H17N3O2/c1-11-6-7-17(22)14(8-11)16-10-15(20-18(19)21-16)12-4-3-5-13(9-12)23-2/h3-10,22H,1-2H3,(H2,19,20,21)
InChI Key:
JPGONQNROUKPIP-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1nc(N)nc(c1)c1cc(C)ccc1O
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.353g/mol
Monoisotopic Mass:
307.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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