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26035-98-3 | 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 6-methyl-N,7-bis(phenylmethyl)-
CAS No: 26035-98-3 Catalog No: AG002RFI MDL No:
Product Description
Catalog Number:
AG002RFI
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 6-methyl-N,7-bis(phenylmethyl)-
CAS Number:
26035-98-3
Molecular Formula:
C21H20N4
Molecular Weight:
328.4103
IUPAC Name:
N,7-dibenzyl-6-methylpyrrolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C21H20N4/c1-16-12-19-20(22-13-17-8-4-2-5-9-17)23-15-24-21(19)25(16)14-18-10-6-3-7-11-18/h2-12,15H,13-14H2,1H3,(H,22,23,24)
InChI Key:
DKFFENXONLDPJC-UHFFFAOYSA-N
SMILES:
Cc1cc2c(n1Cc1ccccc1)ncnc2NCc1ccccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.169g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.419g/mol
Monoisotopic Mass:
328.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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