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876521-37-8 | Ethanedione, (4-fluorophenyl)[2-[(1-methylethyl)amino]-4-pyrimidinyl]-
CAS No: 876521-37-8 Catalog No: AG004O1T MDL No:
Product Description
Catalog Number:
AG004O1T
Chemical Name:
Ethanedione, (4-fluorophenyl)[2-[(1-methylethyl)amino]-4-pyrimidinyl]-
CAS Number:
876521-37-8
Molecular Formula:
C15H14FN3O2
Molecular Weight:
287.2890
IUPAC Name:
1-(4-fluorophenyl)-2-[2-(propan-2-ylamino)pyrimidin-4-yl]ethane-1,2-dione
InChI:
InChI=1S/C15H14FN3O2/c1-9(2)18-15-17-8-7-12(19-15)14(21)13(20)10-3-5-11(16)6-4-10/h3-9H,1-2H3,(H,17,18,19)
InChI Key:
XCILLLGEGWZXDS-UHFFFAOYSA-N
SMILES:
CC(Nc1nccc(n1)C(=O)C(=O)c1ccc(cc1)F)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.294g/mol
Monoisotopic Mass:
287.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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