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116389-38-9 | 4-Pyrimidinemethanol, 6-methyl-2-(phenylamino)-
CAS No: 116389-38-9 Catalog No: AG000CDV MDL No:
Product Description
Catalog Number:
AG000CDV
Chemical Name:
4-Pyrimidinemethanol, 6-methyl-2-(phenylamino)-
CAS Number:
116389-38-9
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
(2-anilino-6-methylpyrimidin-4-yl)methanol
InChI:
InChI=1S/C12H13N3O/c1-9-7-11(8-16)15-12(13-9)14-10-5-3-2-4-6-10/h2-7,16H,8H2,1H3,(H,13,14,15)
InChI Key:
ICVNJIFYUVQAIA-UHFFFAOYSA-N
SMILES:
OCc1nc(Nc2ccccc2)nc(c1)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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