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2499-31-2 | 4(3H)-Pyrimidinone, 2-amino-5-[3-[[4-(6-chloro-5-oxohexyl)phenyl]amino]propyl]-6-methyl-
CAS No: 2499-31-2 Catalog No: AG002Q3F MDL No:
Product Description
Catalog Number:
AG002Q3F
Chemical Name:
4(3H)-Pyrimidinone, 2-amino-5-[3-[[4-(6-chloro-5-oxohexyl)phenyl]amino]propyl]-6-methyl-
CAS Number:
2499-31-2
Molecular Formula:
C20H27ClN4O2
Molecular Weight:
390.9070
IUPAC Name:
2-amino-5-[3-[4-(6-chloro-5-oxohexyl)anilino]propyl]-4-methyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C20H27ClN4O2/c1-14-18(19(27)25-20(22)24-14)7-4-12-23-16-10-8-15(9-11-16)5-2-3-6-17(26)13-21/h8-11,23H,2-7,12-13H2,1H3,(H3,22,24,25,27)
InChI Key:
YKQOHUMFPYEKJC-UHFFFAOYSA-N
SMILES:
ClCC(=O)CCCCc1ccc(cc1)NCCCc1c(C)nc([nH]c1=O)N
NSC Number:
93611
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.182g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
390.912g/mol
Monoisotopic Mass:
390.182g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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