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Summary Geometry Related PDB entries

MMY

Summary

Name:	5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine
Formula:	C19 H20 N8 O
Formal charge:	0
Formula weight:	376.415 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-[2-(morpholin-4-yl)-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
OpenEye OEToolkits	1.7.0	5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c4c(c(nc1N2CCOCC2)c3cnc(nc3)N)CCN4c5cccnc5
SMILES_CANONICAL	CACTVS	3.370	Nc1ncc(cn1)c2nc(nc3N(CCc23)c4cccnc4)N5CCOCC5
SMILES	CACTVS	3.370	Nc1ncc(cn1)c2nc(nc3N(CCc23)c4cccnc4)N5CCOCC5
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	c1cc(cnc1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5
SMILES	OpenEye OEToolkits	1.7.0	c1cc(cnc1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5
InChI	InChI	1.03	InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23)
InChIKey	InChI	1.03	WZVLQVVHYKFKAZ-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

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