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72412-05-6 | N-[(1-ETHYLPYRROLIDIN-2-YL)METHYL]-4-METHOXY-2-METHYLAMINO-PYRIMIDINE-5-CARBOXAMIDE
CAS No: 72412-05-6 Catalog No: AG005HLE MDL No:
Product Description
Catalog Number:
AG005HLE
Chemical Name:
N-[(1-ETHYLPYRROLIDIN-2-YL)METHYL]-4-METHOXY-2-METHYLAMINO-PYRIMIDINE-5-CARBOXAMIDE
CAS Number:
72412-05-6
Molecular Formula:
C14H23N5O2
Molecular Weight:
293.3647
IUPAC Name:
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide
InChI:
InChI=1S/C14H23N5O2/c1-4-19-7-5-6-10(19)8-16-12(20)11-9-17-14(15-2)18-13(11)21-3/h9-10H,4-8H2,1-3H3,(H,16,20)(H,15,17,18)
InChI Key:
FBFPGCHGRRYSGL-UHFFFAOYSA-N
SMILES:
CCN1CCCC1CNC(=O)c1cnc(nc1OC)NC
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.185g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.371g/mol
Monoisotopic Mass:
293.185g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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