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116389-17-4 | 2-Pyrimidinamine, 4-(methoxymethyl)-6-methyl-N-phenyl-
CAS No: 116389-17-4 Catalog No: AG000CDW MDL No:
Product Description
Catalog Number:
AG000CDW
Chemical Name:
2-Pyrimidinamine, 4-(methoxymethyl)-6-methyl-N-phenyl-
CAS Number:
116389-17-4
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
4-(methoxymethyl)-6-methyl-N-phenylpyrimidin-2-amine
InChI:
InChI=1S/C13H15N3O/c1-10-8-12(9-17-2)16-13(14-10)15-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,14,15,16)
InChI Key:
OIYAXKCSSSMHHP-UHFFFAOYSA-N
SMILES:
COCc1nc(Nc2ccccc2)nc(c1)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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