2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine

C124H135ClF4N30O5 — CID 158351587

About 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine

2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine (PubChem CID 158351587) has the molecular formula C124H135ClF4N30O5 and a molecular weight of 2237.09 g/mol. Its IUPAC name is 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine
• PubChem CID: 158351587
• Molecular Formula: C124H135ClF4N30O5
• Molecular Weight: 2237.09 g/mol
• Exact Mass: 2235.09
• IUPAC Name: 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine
• SMILES: C/C=C/C1=CC(Nc2cc(C)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N(C)CCN(C)C)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(NCCCn3ccnc3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N(C)CCN(C)C)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NCCCn4ccnc4)cc(NC4=NCC(C5CC5)=C4)n3)c2F)C1
• InChI: InChI=1S/C27H28FN7O.C26H31FN6O.C25H26FN7O.C24H29FN6O.C22H21ClN4O/c1-17-11-19-5-6-22(26(28)21(19)12-17)36-27-33-24(30-7-2-9-35-10-8-29-16-35)14-25(34-27)32-23-13-20(15-31-23)18-3-4-18;1-16-11-18-7-8-21(25(27)20(18)12-16)34-26-30-23(14-24(31-26)33(4)10-9-32(2)3)29-22-13-19(15-28-22)17-5-6-17;1-16-10-18-4-5-20(24(26)19(18)11-16)34-25-31-22(28-6-3-8-33-9-7-27-15-33)13-23(32-25)30-21-12-17(2)14-29-21;1-15-10-17-6-7-19(23(25)18(17)11-15)32-24-28-21(27-20-12-16(2)14-26-20)13-22(29-24)31(5)9-8-30(3)4;1-4-5-15-11-19(24-12-15)26-20-10-14(3)25-22(27-20)28-18-7-6-16-8-13(2)9-17(16)21(18)23/h5-6,8,10,12-14,16,18H,2-4,7,9,11,15H2,1H3,(H2,30,31,32,33,34);7-8,12-14,17H,5-6,9-11,15H2,1-4H3,(H,28,29,30,31);4-5,7,9,11-13,15H,3,6,8,10,14H2,1-2H3,(H2,28,29,30,31,32);6-7,11-13H,8-10,14H2,1-5H3,(H,26,27,28,29);4-7,9-11H,8,12H2,1-3H3,(H,24,25,26,27)/b;;;;5-4+
• InChIKey: GSJOXFIVLVWZQR-LBOAFHOISA-N
• XLogP: 24.24
• TPSA: 369.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2237.09
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine?

The IUPAC name of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine (CID 158351587) is 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine.

What is the SMILES notation for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine?

The canonical SMILES for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine is C/C=C/C1=CC(Nc2cc(C)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N(C)CCN(C)C)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(NCCCn3ccnc3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N(C)CCN(C)C)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NCCCn4ccnc4)cc(NC4=NCC(C5CC5)=C4)n3)c2F)C1.

What is the InChIKey of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine?

The InChIKey is GSJOXFIVLVWZQR-LBOAFHOISA-N. The full InChI is InChI=1S/C27H28FN7O.C26H31FN6O.C25H26FN7O.C24H29FN6O.C22H21ClN4O/c1-17-11-19-5-6-22(26(28)21(19)12-17)36-27-33-24(30-7-2-9-35-10-8-29-16-35)14-25(34-27)32-23-13-20(15-31-23)18-3-4-18;1-16-11-18-7-8-21(25(27)20(18)12-16)34-26-30-23(14-24(31-26)33(4)10-9-32(2)3)29-22-13-19(15-28-22)17-5-6-17;1-16-10-18-4-5-20(24(26)19(18)11-16)34-25-31-22(28-6-3-8-33-9-7-27-15-33)13-23(32-25)30-21-12-17(2)14-29-21;1-15-10-17-6-7-19(23(25)18(17)11-15)32-24-28-21(27-20-12-16(2)14-26-20)13-22(29-24)31(5)9-8-30(3)4;1-4-5-15-11-19(24-12-15)26-20-10-14(3)25-22(27-20)28-18-7-6-16-8-13(2)9-17(16)21(18)23/h5-6,8,10,12-14,16,18H,2-4,7,9,11,15H2,1H3,(H2,30,31,32,33,34);7-8,12-14,17H,5-6,9-11,15H2,1-4H3,(H,28,29,30,31);4-5,7,9,11-13,15H,3,6,8,10,14H2,1-2H3,(H2,28,29,30,31,32);6-7,11-13H,8-10,14H2,1-5H3,(H,26,27,28,29);4-7,9-11H,8,12H2,1-3H3,(H,24,25,26,27)/b;;;;5-4+.

What are the key properties of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine?

2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine has a molecular weight of 2237.09 g/mol, XLogP of 24.24, 36 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-methyl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methylpyrimidine-4,6-diamine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine;4-N-[2-(dimethylamino)ethyl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-methyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 158351587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).