M2N

5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Created:	2014-01-15
Last modified:	2015-01-21

Find Related PDB Entry
1 entries where M2N is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	22

2D diagram of M2N

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Formula	C₁₈ H₁₅ N₅
Molecular Weight	301.345
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(c2c(nc1N)nc(c2c3ccccc3)c4ccccc4)N
SMILES	CACTVS	3.385	Nc1nc(N)c2c([nH]c(c3ccccc3)c2c4ccccc4)n1
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N
Canonical SMILES	CACTVS	3.385	Nc1nc(N)c2c([nH]c(c3ccccc3)c2c4ccccc4)n1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N
InChI	InChI	1.03	InChI=1S/C18H15N5/c19-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)21-17(14)23-18(20)22-16/h1-10H,(H5,19,20,21,22,23)
InChIKey	InChI	1.03	ALHDUYCWXQUVGC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	15761739
ChEMBL	CHEMBL3318820

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.