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79692-37-8 | N-(5-DIETHYLAMINOPENTAN-2-YL)-2,6-DIOXO-3H-PYRIMIDINE-4-CARBOXAMIDE
CAS No: 79692-37-8 Catalog No: AG005IMP MDL No:
Product Description
Catalog Number:
AG005IMP
Chemical Name:
N-(5-DIETHYLAMINOPENTAN-2-YL)-2,6-DIOXO-3H-PYRIMIDINE-4-CARBOXAMIDE
CAS Number:
79692-37-8
Molecular Formula:
C14H24N4O3
Molecular Weight:
296.3654
IUPAC Name:
N-[5-(diethylamino)pentan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
InChI:
InChI=1S/C14H24N4O3/c1-4-18(5-2)8-6-7-10(3)15-13(20)11-9-12(19)17-14(21)16-11/h9-10H,4-8H2,1-3H3,(H,15,20)(H2,16,17,19,21)
InChI Key:
NQUYBZYJBIDUFB-UHFFFAOYSA-N
SMILES:
CCN(CCCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C)CC
NSC Number:
179200
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.185g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.371g/mol
Monoisotopic Mass:
296.185g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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