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26806-77-9 | N2-(4-Methoxyphenyl)pyrimidine-2,5-diamine
CAS No: 26806-77-9 Catalog No: AG01FBE8 MDL No:
Product Description
Catalog Number:
AG01FBE8
Chemical Name:
N2-(4-Methoxyphenyl)pyrimidine-2,5-diamine
CAS Number:
26806-77-9
Molecular Formula:
C11H12N4O
Molecular Weight:
216.2392
IUPAC Name:
2-N-(4-methoxyphenyl)pyrimidine-2,5-diamine
InChI:
InChI=1S/C11H12N4O/c1-16-10-4-2-9(3-5-10)15-11-13-6-8(12)7-14-11/h2-7H,12H2,1H3,(H,13,14,15)
InChI Key:
JEDUCGIVROUICM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1ncc(cn1)N
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.244g/mol
Monoisotopic Mass:
216.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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