2GE

N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine

Created:	2013-10-15
Last modified:	2014-04-16

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5 entries where 2GE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of 2GE

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Chemical Component Summary
Name	N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	6-[2,3-bis(chloranyl)phenyl]-N4-cyclopropyl-pyrimidine-2,4-diamine
Formula	C₁₃ H₁₂ Cl₂ N₄
Molecular Weight	295.167
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc3c(Cl)c(c1nc(nc(c1)NC2CC2)N)ccc3
SMILES	CACTVS	3.385	Nc1nc(NC2CC2)cc(n1)c3cccc(Cl)c3Cl
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3
Canonical SMILES	CACTVS	3.385	Nc1nc(NC2CC2)cc(n1)c3cccc(Cl)c3Cl
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3
InChI	InChI	1.03	InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19)
InChIKey	InChI	1.03	PNMYJIOQIAEYQL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3782004
PubChem	73389731
ChEMBL	CHEMBL3782004

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