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84332-18-3 | 5-Pyrimidinecarboxamide,2-amino-4-methoxy-N-[(1-methyl-2-piperidinyl)methyl]-
CAS No: 84332-18-3 Catalog No: AG00560Y MDL No:
Product Description
Catalog Number:
AG00560Y
Chemical Name:
5-Pyrimidinecarboxamide,2-amino-4-methoxy-N-[(1-methyl-2-piperidinyl)methyl]-
CAS Number:
84332-18-3
Molecular Formula:
C13H21N5O2
Molecular Weight:
279.3381
IUPAC Name:
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-5-carboxamide
InChI:
InChI=1S/C13H21N5O2/c1-18-6-4-3-5-9(18)7-15-11(19)10-8-16-13(14)17-12(10)20-2/h8-9H,3-7H2,1-2H3,(H,15,19)(H2,14,16,17)
InChI Key:
DNFKQVGBPQOYGM-UHFFFAOYSA-N
SMILES:
COc1nc(N)ncc1C(=O)NCC1CCCCN1C
Properties
Complexity:
328
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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