2GD

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

Created:2013-10-12
Last modified:  2014-04-16

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count28
Aromatic Bond Count12
2D diagram of 2GD

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Chemical Component Summary

Name6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)6-[2,3-bis(chloranyl)phenyl]-N4-methyl-pyrimidine-2,4-diamine
FormulaC11 H10 Cl2 N4
Molecular Weight269.13
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc2c(Cl)c(c1nc(nc(c1)NC)N)ccc2
SMILESCACTVS3.385CNc1cc(nc(N)n1)c2cccc(Cl)c2Cl
SMILESOpenEye OEToolkits1.7.6CNc1cc(nc(n1)N)c2cccc(c2Cl)Cl
Canonical SMILESCACTVS3.385 CNc1cc(nc(N)n1)c2cccc(Cl)c2Cl
Canonical SMILESOpenEye OEToolkits1.7.6 CNc1cc(nc(n1)N)c2cccc(c2Cl)Cl
InChIInChI1.03 InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyInChI1.03 URWCXPXBBITYLR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3781316
PubChem 73441664
ChEMBL CHEMBL3781316