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72255-55-1 | 2,4(1H,3H)-Pyrimidinedione, 6-[[4-(1-methylethyl)phenyl]amino]-
CAS No: 72255-55-1 Catalog No: AG005J2Y MDL No:
Product Description
Catalog Number:
AG005J2Y
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[[4-(1-methylethyl)phenyl]amino]-
CAS Number:
72255-55-1
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
6-(4-propan-2-ylanilino)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C13H15N3O2/c1-8(2)9-3-5-10(6-4-9)14-11-7-12(17)16-13(18)15-11/h3-8H,1-2H3,(H3,14,15,16,17,18)
InChI Key:
RBBWJPSVIWZVCJ-UHFFFAOYSA-N
SMILES:
O=c1cc(Nc2ccc(cc2)C(C)C)[nH]c(=O)[nH]1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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