4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide

C125H128ClF4N25O8 — CID 157376949

About 4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide

4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide (PubChem CID 157376949) has the molecular formula C125H128ClF4N25O8 and a molecular weight of 2220.01 g/mol. Its IUPAC name is 4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide.

Molecular Properties

• Compound Name: 4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide
• PubChem CID: 157376949
• Molecular Formula: C125H128ClF4N25O8
• Molecular Weight: 2220.01 g/mol
• Exact Mass: 2218.00
• IUPAC Name: 4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide
• SMILES: CC(F)(F)Oc1cccc(-c2ncnc(Nc3ccc(CN)cc3)c2O)c1.CC(F)(F)c1ccccc1-c1ncnc(Nc2ccc(CN)cc2)c1O.Cc1ccc(-c2nc(C3CC3)nc(Nc3ccc(CN)cc3)c2O)cc1.Cc1ccc(-c2nc(C3CCCCC3)nc(Nc3ccc(C(N)=O)cc3)c2O)cc1.Cc1ccc(-c2ncnc(Nc3ccc(CN)cc3)c2O)c(Cl)c1.[H]/N=C(\N)c1ccc(Nc2nc(C3CCCCC3)nc(-c3ccc(C)cc3)c2O)cc1
• InChI: InChI=1S/C24H27N5O.C24H26N4O2.C21H22N4O.C19H18F2N4O2.C19H18F2N4O.C18H17ClN4O/c1-15-7-9-16(10-8-15)20-21(30)24(27-19-13-11-17(12-14-19)22(25)26)29-23(28-20)18-5-3-2-4-6-18;1-15-7-9-16(10-8-15)20-21(29)24(26-19-13-11-17(12-14-19)22(25)30)28-23(27-20)18-5-3-2-4-6-18;1-13-2-6-15(7-3-13)18-19(26)21(25-20(24-18)16-8-9-16)23-17-10-4-14(12-22)5-11-17;1-19(20,21)27-15-4-2-3-13(9-15)16-17(26)18(24-11-23-16)25-14-7-5-12(10-22)6-8-14;1-19(20,21)15-5-3-2-4-14(15)16-17(26)18(24-11-23-16)25-13-8-6-12(10-22)7-9-13;1-11-2-7-14(15(19)8-11)16-17(24)18(22-10-21-16)23-13-5-3-12(9-20)4-6-13/h7-14,18,30H,2-6H2,1H3,(H3,25,26)(H,27,28,29);7-14,18,29H,2-6H2,1H3,(H2,25,30)(H,26,27,28);2-7,10-11,16,26H,8-9,12,22H2,1H3,(H,23,24,25);2-9,11,26H,10,22H2,1H3,(H,23,24,25);2-9,11,26H,10,22H2,1H3,(H,23,24,25);2-8,10,24H,9,20H2,1H3,(H,21,22,23)
• InChIKey: BKKWPSHVCSJJPX-UHFFFAOYSA-N
• XLogP: 26.74
• TPSA: 554.51 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 31
• Rotatable Bonds: 30
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2220.01
LogP ≤ 5	26.74
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide?

The IUPAC name of 4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide (CID 157376949) is 4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide.

What is the SMILES notation for 4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide?

The canonical SMILES for 4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide is CC(F)(F)Oc1cccc(-c2ncnc(Nc3ccc(CN)cc3)c2O)c1.CC(F)(F)c1ccccc1-c1ncnc(Nc2ccc(CN)cc2)c1O.Cc1ccc(-c2nc(C3CC3)nc(Nc3ccc(CN)cc3)c2O)cc1.Cc1ccc(-c2nc(C3CCCCC3)nc(Nc3ccc(C(N)=O)cc3)c2O)cc1.Cc1ccc(-c2ncnc(Nc3ccc(CN)cc3)c2O)c(Cl)c1.[H]/N=C(\N)c1ccc(Nc2nc(C3CCCCC3)nc(-c3ccc(C)cc3)c2O)cc1.

What is the InChIKey of 4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide?

The InChIKey is BKKWPSHVCSJJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O.C24H26N4O2.C21H22N4O.C19H18F2N4O2.C19H18F2N4O.C18H17ClN4O/c1-15-7-9-16(10-8-15)20-21(30)24(27-19-13-11-17(12-14-19)22(25)26)29-23(28-20)18-5-3-2-4-6-18;1-15-7-9-16(10-8-15)20-21(29)24(26-19-13-11-17(12-14-19)22(25)30)28-23(27-20)18-5-3-2-4-6-18;1-13-2-6-15(7-3-13)18-19(26)21(25-20(24-18)16-8-9-16)23-17-10-4-14(12-22)5-11-17;1-19(20,21)27-15-4-2-3-13(9-15)16-17(26)18(24-11-23-16)25-14-7-5-12(10-22)6-8-14;1-19(20,21)15-5-3-2-4-14(15)16-17(26)18(24-11-23-16)25-13-8-6-12(10-22)7-9-13;1-11-2-7-14(15(19)8-11)16-17(24)18(22-10-21-16)23-13-5-3-12(9-20)4-6-13/h7-14,18,30H,2-6H2,1H3,(H3,25,26)(H,27,28,29);7-14,18,29H,2-6H2,1H3,(H2,25,30)(H,26,27,28);2-7,10-11,16,26H,8-9,12,22H2,1H3,(H,23,24,25);2-9,11,26H,10,22H2,1H3,(H,23,24,25);2-9,11,26H,10,22H2,1H3,(H,23,24,25);2-8,10,24H,9,20H2,1H3,(H,21,22,23).

What are the key properties of 4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide?

4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide has a molecular weight of 2220.01 g/mol, XLogP of 26.74, 30 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(aminomethyl)anilino]-6-(2-chloro-4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-2-cyclopropyl-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[2-(1,1-difluoroethyl)phenyl]pyrimidin-5-ol;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide;4-[[2-cyclohexyl-5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenecarboximidamide is sourced from PubChem (CID 157376949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).