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1252883-90-1 | 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3S,4S)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-
CAS No: 1252883-90-1 Catalog No: AG000NF5 MDL No:
Product Description
Catalog Number:
AG000NF5
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3S,4S)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-
CAS Number:
1252883-90-1
Molecular Formula:
C20H25N5
Molecular Weight:
335.4460
IUPAC Name:
N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C20H25N5/c1-15-9-11-25(12-16-6-4-3-5-7-16)13-18(15)24(2)20-17-8-10-21-19(17)22-14-23-20/h3-8,10,14-15,18H,9,11-13H2,1-2H3,(H,21,22,23)/t15-,18+/m0/s1
InChI Key:
UMWNXPTXDOVDFE-MAUKXSAKSA-N
SMILES:
C[C@H]1CCN(C[C@H]1N(c1ncnc2c1cc[nH]2)C)Cc1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
335.211g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.455g/mol
Monoisotopic Mass:
335.211g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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