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Summary Geometry Related PDB entries

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Summary

Name:	N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine
Formula:	C20 H23 N7 O3
Formal charge:	0
Formula weight:	409.442 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine
OpenEye OEToolkits	1.7.2	6-(2-azanylpyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-pyrimidin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c(Nc1ccc(OC)c(OC)c1)cc(nc2N3CCOCC3)c4cnc(nc4)N
InChI	InChI	1.03	InChI=1S/C20H23N7O3/c1-28-16-4-3-14(9-17(16)29-2)24-18-10-15(13-11-22-19(21)23-12-13)25-20(26-18)27-5-7-30-8-6-27/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22,23)(H,24,25,26)
InChIKey	InChI	1.03	AAKJGXGPYVKGQA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	COc1ccc(Nc2cc(nc(n2)N3CCOCC3)c4cnc(N)nc4)cc1OC
SMILES	CACTVS	3.370	COc1ccc(Nc2cc(nc(n2)N3CCOCC3)c4cnc(N)nc4)cc1OC
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	COc1ccc(cc1OC)Nc2cc(nc(n2)N3CCOCC3)c4cnc(nc4)N
SMILES	OpenEye OEToolkits	1.7.2	COc1ccc(cc1OC)Nc2cc(nc(n2)N3CCOCC3)c4cnc(nc4)N

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