4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride

C96H87Cl4N31O6S — CID 159940336

IUPAC4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride
SMILESCl.Cl.Clc1nccc(N2CCc3ccccc32)n1.NC(=O)c1ccc(Oc2ccnc(N)n2)cc1.Nc1nccc(-n2ccc3ccccc32)n1.Nc1nccc(-n2cnc3ccccc32)n1.Nc1nccc(N2CCc3cc(Cl)ccc32)n1.Nc1nccc(Oc2ccc(S(N)(=O)=O)cc2)n1.Nc1nccc(Oc2ccccc2)n1.c1ccc(Nc2nccc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C18H16N4.C12H11ClN4.C12H10ClN3.C12H10N4.C11H9N5.C11H10N4O2.C10H10N4O3S.C10H9N3O.2ClH/c1-2-7-15(8-3-1)20-18-19-12-10-17(21-18)22-13-11-14-6-4-5-9-16(14)22;13-9-1-2-10-8(7-9)4-6-17(10)11-3-5-15-12(14)16-11;2*13-12-14-7-5-11(15-12)16-8-6-9-3-1-2-4-10(9)16;12-11-13-6-5-10(15-11)16-7-14-8-3-1-2-4-9(8)16;12-10(16)7-1-3-8(4-2-7)17-9-5-6-14-11(13)15-9;11-10-13-6-5-9(14-10)17-7-1-3-8(4-2-7)18(12,15)16;11-10-12-7-6-9(13-10)14-8-4-2-1-3-5-8;;/h1-10,12H,11,13H2,(H,19,20,21);1-3,5,7H,4,6H2,(H2,14,15,16);1-5,7H,6,8H2;1-8H,(H2,13,14,15);1-7H,(H2,12,13,15);1-6H,(H2,12,16)(H2,13,14,15);1-6H,(H2,11,13,14)(H2,12,15,16);1-7H,(H2,11,12,13);2*1H
InChIKeyIQDUXTNKLBCLHK-UHFFFAOYSA-N
MW1944.84 g/mol
LogP16.69
Rot. Bonds15

About 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride

4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride (PubChem CID 159940336) has the molecular formula C96H87Cl4N31O6S and a molecular weight of 1944.84 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride
PubChem CID159940336
Molecular FormulaC96H87Cl4N31O6S
Molecular Weight1944.84 g/mol
Exact Mass1941.59
IUPAC Name4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride
SMILESCl.Cl.Clc1nccc(N2CCc3ccccc32)n1.NC(=O)c1ccc(Oc2ccnc(N)n2)cc1.Nc1nccc(-n2ccc3ccccc32)n1.Nc1nccc(-n2cnc3ccccc32)n1.Nc1nccc(N2CCc3cc(Cl)ccc32)n1.Nc1nccc(Oc2ccc(S(N)(=O)=O)cc2)n1.Nc1nccc(Oc2ccccc2)n1.c1ccc(Nc2nccc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C18H16N4.C12H11ClN4.C12H10ClN3.C12H10N4.C11H9N5.C11H10N4O2.C10H10N4O3S.C10H9N3O.2ClH/c1-2-7-15(8-3-1)20-18-19-12-10-17(21-18)22-13-11-14-6-4-5-9-16(14)22;13-9-1-2-10-8(7-9)4-6-17(10)11-3-5-15-12(14)16-11;2*13-12-14-7-5-11(15-12)16-8-6-9-3-1-2-4-10(9)16;12-11-13-6-5-10(15-11)16-7-14-8-3-1-2-4-9(8)16;12-10(16)7-1-3-8(4-2-7)17-9-5-6-14-11(13)15-9;11-10-13-6-5-9(14-10)17-7-1-3-8(4-2-7)18(12,15)16;11-10-12-7-6-9(13-10)14-8-4-2-1-3-5-8;;/h1-10,12H,11,13H2,(H,19,20,21);1-3,5,7H,4,6H2,(H2,14,15,16);1-5,7H,6,8H2;1-8H,(H2,13,14,15);1-7H,(H2,12,13,15);1-6H,(H2,12,16)(H2,13,14,15);1-6H,(H2,11,13,14)(H2,12,15,16);1-7H,(H2,11,12,13);2*1H
InChIKeyIQDUXTNKLBCLHK-UHFFFAOYSA-N
XLogP16.69
TPSA537.80 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds15
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001944.84
LogP ≤ 516.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride?
The IUPAC name of 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride (CID 159940336) is 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride?
The canonical SMILES for 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride is Cl.Cl.Clc1nccc(N2CCc3ccccc32)n1.NC(=O)c1ccc(Oc2ccnc(N)n2)cc1.Nc1nccc(-n2ccc3ccccc32)n1.Nc1nccc(-n2cnc3ccccc32)n1.Nc1nccc(N2CCc3cc(Cl)ccc32)n1.Nc1nccc(Oc2ccc(S(N)(=O)=O)cc2)n1.Nc1nccc(Oc2ccccc2)n1.c1ccc(Nc2nccc(N3CCc4ccccc43)n2)cc1.
What is the InChIKey of 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride?
The InChIKey is IQDUXTNKLBCLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4.C12H11ClN4.C12H10ClN3.C12H10N4.C11H9N5.C11H10N4O2.C10H10N4O3S.C10H9N3O.2ClH/c1-2-7-15(8-3-1)20-18-19-12-10-17(21-18)22-13-11-14-6-4-5-9-16(14)22;13-9-1-2-10-8(7-9)4-6-17(10)11-3-5-15-12(14)16-11;2*13-12-14-7-5-11(15-12)16-8-6-9-3-1-2-4-10(9)16;12-11-13-6-5-10(15-11)16-7-14-8-3-1-2-4-9(8)16;12-10(16)7-1-3-8(4-2-7)17-9-5-6-14-11(13)15-9;11-10-13-6-5-9(14-10)17-7-1-3-8(4-2-7)18(12,15)16;11-10-12-7-6-9(13-10)14-8-4-2-1-3-5-8;;/h1-10,12H,11,13H2,(H,19,20,21);1-3,5,7H,4,6H2,(H2,14,15,16);1-5,7H,6,8H2;1-8H,(H2,13,14,15);1-7H,(H2,12,13,15);1-6H,(H2,12,16)(H2,13,14,15);1-6H,(H2,11,13,14)(H2,12,15,16);1-7H,(H2,11,12,13);2*1H.
What are the key properties of 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride?
4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride has a molecular weight of 1944.84 g/mol, XLogP of 16.69, 15 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(benzimidazol-1-yl)pyrimidin-2-amine;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole;4-(2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine;4-indol-1-ylpyrimidin-2-amine;4-phenoxypyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 159940336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).