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13784-07-1 | 2,4(1H,3H)-Pyrimidinedione, 6-amino-5-[[(4-chlorophenyl)methylene]amino]-1,3-dimethyl-
CAS No: 13784-07-1 Catalog No: AG0013XW MDL No:
Product Description
Catalog Number:
AG0013XW
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-amino-5-[[(4-chlorophenyl)methylene]amino]-1,3-dimethyl-
CAS Number:
13784-07-1
Molecular Formula:
C13H13ClN4O2
Molecular Weight:
292.7209
IUPAC Name:
6-amino-5-[(4-chlorophenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
InChI:
InChI=1S/C13H13ClN4O2/c1-17-11(15)10(12(19)18(2)13(17)20)16-7-8-3-5-9(14)6-4-8/h3-7H,15H2,1-2H3
InChI Key:
MVGWMMWPCGCRKR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C=Nc1c(N)n(C)c(=O)n(c1=O)C
NSC Number:
280485
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.723g/mol
Monoisotopic Mass:
292.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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