CJF

N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine

Created:	2019-04-24
Last modified:	2020-10-28

Find Related PDB Entry
1 entries where CJF 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	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

2D diagram of CJF

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	~{N}4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
Formula	C₁₁ H₁₇ N₅ O
Molecular Weight	235.286
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1nc(NC2CC2)cc(n1)N3CCOCC3
SMILES	OpenEye OEToolkits	2.0.6	c1c(nc(nc1N2CCOCC2)N)NC3CC3
Canonical SMILES	CACTVS	3.385	Nc1nc(NC2CC2)cc(n1)N3CCOCC3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c(nc(nc1N2CCOCC2)N)NC3CC3
InChI	InChI	1.03	InChI=1S/C11H17N5O/c12-11-14-9(13-8-1-2-8)7-10(15-11)16-3-5-17-6-4-16/h7-8H,1-6H2,(H3,12,13,14,15)
InChIKey	InChI	1.03	ODSBHVJNQBVQRW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	117079404

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.