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84332-23-0 | 5-Pyrimidinecarboxamide,2-amino-N-(1-ethyl-4-piperidinyl)-4-methoxy-
CAS No: 84332-23-0 Catalog No: AG004T8N MDL No:
Product Description
Catalog Number:
AG004T8N
Chemical Name:
5-Pyrimidinecarboxamide,2-amino-N-(1-ethyl-4-piperidinyl)-4-methoxy-
CAS Number:
84332-23-0
Molecular Formula:
C13H21N5O2
Molecular Weight:
279.3381
IUPAC Name:
2-amino-N-(1-ethylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide
InChI:
InChI=1S/C13H21N5O2/c1-3-18-6-4-9(5-7-18)16-11(19)10-8-15-13(14)17-12(10)20-2/h8-9H,3-7H2,1-2H3,(H,16,19)(H2,14,15,17)
InChI Key:
QSSQCSXMQJQXEO-UHFFFAOYSA-N
SMILES:
CCN1CCC(CC1)NC(=O)c1cnc(nc1OC)N
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.17g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.344g/mol
Monoisotopic Mass:
279.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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