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140454-81-5 | 4-Pyrimidinamine, 5-chloro-6-ethyl-N-[(3-phenoxyphenyl)methyl]-
CAS No: 140454-81-5 Catalog No: AG001CH1 MDL No:
Product Description
Catalog Number:
AG001CH1
Chemical Name:
4-Pyrimidinamine, 5-chloro-6-ethyl-N-[(3-phenoxyphenyl)methyl]-
CAS Number:
140454-81-5
Molecular Formula:
C19H18ClN3O
Molecular Weight:
339.8187
IUPAC Name:
5-chloro-6-ethyl-N-[(3-phenoxyphenyl)methyl]pyrimidin-4-amine
InChI:
InChI=1S/C19H18ClN3O/c1-2-17-18(20)19(23-13-22-17)21-12-14-7-6-10-16(11-14)24-15-8-4-3-5-9-15/h3-11,13H,2,12H2,1H3,(H,21,22,23)
InChI Key:
JUYWFWYWVZHIME-UHFFFAOYSA-N
SMILES:
CCc1ncnc(c1Cl)NCc1cccc(c1)Oc1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.114g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.823g/mol
Monoisotopic Mass:
339.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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