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204571-53-9 | 1,2-Propanediol, 1-[6-methyl-2-(phenylamino)-4-pyrimidinyl]-
CAS No: 204571-53-9 Catalog No: AG0029KP MDL No:
Product Description
Catalog Number:
AG0029KP
Chemical Name:
1,2-Propanediol, 1-[6-methyl-2-(phenylamino)-4-pyrimidinyl]-
CAS Number:
204571-53-9
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
IUPAC Name:
1-(2-anilino-6-methylpyrimidin-4-yl)propane-1,2-diol
InChI:
InChI=1S/C14H17N3O2/c1-9-8-12(13(19)10(2)18)17-14(15-9)16-11-6-4-3-5-7-11/h3-8,10,13,18-19H,1-2H3,(H,15,16,17)
InChI Key:
UQGVMPQKVNLSAS-UHFFFAOYSA-N
SMILES:
Cc1nc(Nc2ccccc2)nc(c1)C(C(O)C)O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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