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2499-51-6 | 4(3H)-Pyrimidinone, 2-amino-5-[3-[[4-(2-chloroacetyl)phenyl]amino]propyl]-6-methyl-
CAS No: 2499-51-6 Catalog No: AG002Q42 MDL No:
Product Description
Catalog Number:
AG002Q42
Chemical Name:
4(3H)-Pyrimidinone, 2-amino-5-[3-[[4-(2-chloroacetyl)phenyl]amino]propyl]-6-methyl-
CAS Number:
2499-51-6
Molecular Formula:
C16H19ClN4O2
Molecular Weight:
334.8007
IUPAC Name:
2-amino-5-[3-[4-(2-chloroacetyl)anilino]propyl]-4-methyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C16H19ClN4O2/c1-10-13(15(23)21-16(18)20-10)3-2-8-19-12-6-4-11(5-7-12)14(22)9-17/h4-7,19H,2-3,8-9H2,1H3,(H3,18,20,21,23)
InChI Key:
VIDQKZMKQZGFCU-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(cc1)NCCCc1c(C)nc([nH]c1=O)N
NSC Number:
88906
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.12g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
334.804g/mol
Monoisotopic Mass:
334.12g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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