GUV

1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea

Created:2018-06-01
Last modified:  2019-04-10

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count33
Aromatic Bond Count12
2D diagram of GUV

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Chemical Component Summary

Name1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
Systematic Name (OpenEye OEToolkits)1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
FormulaC13 H14 N4 O
Molecular Weight242.276
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CNC(=O)Nc1cccc(c1)c2ccnc(C)n2
SMILESOpenEye OEToolkits2.0.6Cc1nccc(n1)c2cccc(c2)NC(=O)NC
Canonical SMILESCACTVS3.385 CNC(=O)Nc1cccc(c1)c2ccnc(C)n2
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1nccc(n1)c2cccc(c2)NC(=O)NC
InChIInChI1.03 InChI=1S/C13H14N4O/c1-9-15-7-6-12(16-9)10-4-3-5-11(8-10)17-13(18)14-2/h3-8H,1-2H3,(H2,14,17,18)
InChIKeyInChI1.03 AEADJOBCASCCHA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2819605
ChEMBL CHEMBL1541543