4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride

C78H78Cl3F2N27O8S — CID 158140125

About 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride

4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride (PubChem CID 158140125) has the molecular formula C78H78Cl3F2N27O8S and a molecular weight of 1698.08 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride.

Molecular Properties

• Compound Name: 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride
• PubChem CID: 158140125
• Molecular Formula: C78H78Cl3F2N27O8S
• Molecular Weight: 1698.08 g/mol
• Exact Mass: 1695.53
• IUPAC Name: 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride
• SMILES: CCOc1ccc(Nc2ccnc(N)n2)cc1.Cl.Cl.NC(=O)c1ccc(Oc2ccnc(N)n2)cc1.Nc1nccc(N2CCc3cc(Cl)ccc32)n1.Nc1nccc(N2CCc3ccccc32)n1.Nc1nccc(Nc2ccc(OC(F)F)cc2)n1.Nc1nccc(Oc2ccc(S(N)(=O)=O)cc2)n1.Nc1nccc(Oc2ccccc2)n1
• InChI: InChI=1S/C12H11ClN4.C12H14N4O.C12H12N4.C11H10F2N4O.C11H10N4O2.C10H10N4O3S.C10H9N3O.2ClH/c13-9-1-2-10-8(7-9)4-6-17(10)11-3-5-15-12(14)16-11;1-2-17-10-5-3-9(4-6-10)15-11-7-8-14-12(13)16-11;13-12-14-7-5-11(15-12)16-8-6-9-3-1-2-4-10(9)16;12-10(13)18-8-3-1-7(2-4-8)16-9-5-6-15-11(14)17-9;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;;/h1-3,5,7H,4,6H2,(H2,14,15,16);3-8H,2H2,1H3,(H3,13,14,15,16);1-5,7H,6,8H2,(H2,13,14,15);1-6,10H,(H3,14,15,16,17);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
• InChIKey: WOHNRQAJLUUAIF-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 542.54 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1698.08
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride?

The IUPAC name of 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride (CID 158140125) is 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride.

What is the SMILES notation for 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride?

The canonical SMILES for 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride is CCOc1ccc(Nc2ccnc(N)n2)cc1.Cl.Cl.NC(=O)c1ccc(Oc2ccnc(N)n2)cc1.Nc1nccc(N2CCc3cc(Cl)ccc32)n1.Nc1nccc(N2CCc3ccccc32)n1.Nc1nccc(Nc2ccc(OC(F)F)cc2)n1.Nc1nccc(Oc2ccc(S(N)(=O)=O)cc2)n1.Nc1nccc(Oc2ccccc2)n1.

What is the InChIKey of 4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride?

The InChIKey is WOHNRQAJLUUAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4.C12H14N4O.C12H12N4.C11H10F2N4O.C11H10N4O2.C10H10N4O3S.C10H9N3O.2ClH/c13-9-1-2-10-8(7-9)4-6-17(10)11-3-5-15-12(14)16-11;1-2-17-10-5-3-9(4-6-10)15-11-7-8-14-12(13)16-11;13-12-14-7-5-11(15-12)16-8-6-9-3-1-2-4-10(9)16;12-10(13)18-8-3-1-7(2-4-8)16-9-5-6-15-11(14)17-9;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;;/h1-3,5,7H,4,6H2,(H2,14,15,16);3-8H,2H2,1H3,(H3,13,14,15,16);1-5,7H,6,8H2,(H2,13,14,15);1-6,10H,(H3,14,15,16,17);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-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride?

4-(2-aminopyrimidin-4-yl)oxybenzamide;4-(2-aminopyrimidin-4-yl)oxybenzenesulfonamide;4-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride has a molecular weight of 1698.08 g/mol, XLogP of 12.91, 18 rotatable bonds, 11 hydrogen bond donors, and 33 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-(5-chloro-2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine;4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine;4-phenoxypyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 158140125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).