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87986-18-3 | 2,4(1H,3H)-Pyrimidinedione, 6-[(3-propylphenyl)amino]-
CAS No: 87986-18-3 Catalog No: AG004OU8 MDL No:
Product Description
Catalog Number:
AG004OU8
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[(3-propylphenyl)amino]-
CAS Number:
87986-18-3
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
6-(3-propylanilino)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C13H15N3O2/c1-2-4-9-5-3-6-10(7-9)14-11-8-12(17)16-13(18)15-11/h3,5-8H,2,4H2,1H3,(H3,14,15,16,17,18)
InChI Key:
NXUZJMJSGGDUHI-UHFFFAOYSA-N
SMILES:
CCCc1cccc(c1)Nc1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
365
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:
4
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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