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72412-43-2 | 5-Pyrimidinecarboxamide,2-amino-4-methoxy-N-[1-(phenylmethyl)-4-piperidinyl]-
CAS No: 72412-43-2 Catalog No: AG005HLB MDL No:
Product Description
Catalog Number:
AG005HLB
Chemical Name:
5-Pyrimidinecarboxamide,2-amino-4-methoxy-N-[1-(phenylmethyl)-4-piperidinyl]-
CAS Number:
72412-43-2
Molecular Formula:
C18H23N5O2
Molecular Weight:
341.4075
IUPAC Name:
2-amino-N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide
InChI:
InChI=1S/C18H23N5O2/c1-25-17-15(11-20-18(19)22-17)16(24)21-14-7-9-23(10-8-14)12-13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,21,24)(H2,19,20,22)
InChI Key:
NVGUWRCYEMNCDQ-UHFFFAOYSA-N
SMILES:
COc1nc(N)ncc1C(=O)NC1CCN(CC1)Cc1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.415g/mol
Monoisotopic Mass:
341.185g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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