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101889-38-7 | 2,4(1H,3H)-Pyrimidinedione, 3-cyclohexyl-5-(di-2-propen-1-ylamino)-1,6-dimethyl-
CAS No: 101889-38-7 Catalog No: AG0005UK MDL No:
Product Description
Catalog Number:
AG0005UK
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-cyclohexyl-5-(di-2-propen-1-ylamino)-1,6-dimethyl-
CAS Number:
101889-38-7
Molecular Formula:
C18H27N3O2
Molecular Weight:
317.4259
IUPAC Name:
5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione
InChI:
InChI=1S/C18H27N3O2/c1-5-12-20(13-6-2)16-14(3)19(4)18(23)21(17(16)22)15-10-8-7-9-11-15/h5-6,15H,1-2,7-13H2,3-4H3
InChI Key:
VKCBSYASCAEHOF-UHFFFAOYSA-N
SMILES:
C=CCN(c1c(C)n(C)c(=O)n(c1=O)C1CCCCC1)CC=C
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.21g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.433g/mol
Monoisotopic Mass:
317.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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