KK2

4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

Created:	2014-05-05
Last modified:	2014-07-16

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1 entries where KK2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	12

2D diagram of KK2

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Chemical Component Summary
Name	4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)	4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
Formula	C₁₅ H₁₅ F₃ N₄ O
Molecular Weight	324.301
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1ccc(cc1)c3nc(nc(N2CCOCC2)c3)N
SMILES	CACTVS	3.385	Nc1nc(cc(n1)c2ccc(cc2)C(F)(F)F)N3CCOCC3
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1c2cc(nc(n2)N)N3CCOCC3)C(F)(F)F
Canonical SMILES	CACTVS	3.385	Nc1nc(cc(n1)c2ccc(cc2)C(F)(F)F)N3CCOCC3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1c2cc(nc(n2)N)N3CCOCC3)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C15H15F3N4O/c16-15(17,18)11-3-1-10(2-4-11)12-9-13(21-14(19)20-12)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H2,19,20,21)
InChIKey	InChI	1.03	XZLXJMNYYMKDDT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	75815439

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