WOE

4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE

Created:2010-05-10
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count27
Aromatic Bond Count13
2D diagram of WOE

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Chemical Component Summary

Name4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE
Systematic Name (OpenEye OEToolkits)4-chloro-6-(2-methoxyphenyl)pyrimidin-2-amine
FormulaC11 H10 Cl N3 O
Molecular Weight235.67
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc2nc(nc(c1c(OC)cccc1)c2)N
SMILESCACTVS3.352COc1ccccc1c2cc(Cl)nc(N)n2
SMILESOpenEye OEToolkits1.6.1COc1ccccc1c2cc(nc(n2)N)Cl
Canonical SMILESCACTVS3.352 COc1ccccc1c2cc(Cl)nc(N)n2
Canonical SMILESOpenEye OEToolkits1.6.1 COc1ccccc1c2cc(nc(n2)N)Cl
InChIInChI1.03 InChI=1S/C11H10ClN3O/c1-16-9-5-3-2-4-7(9)8-6-10(12)15-11(13)14-8/h2-6H,1H3,(H2,13,14,15)
InChIKeyInChI1.03 SYQGHXNIIBJJKO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 46861552
ChEMBL CHEMBL1236713