2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile

C155H153F2N33O11 — CID 159326000

About 2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile

2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile (PubChem CID 159326000) has the molecular formula C155H153F2N33O11 and a molecular weight of 2692.14 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile
• PubChem CID: 159326000
• Molecular Formula: C155H153F2N33O11
• Molecular Weight: 2692.14 g/mol
• Exact Mass: 2690.24
• IUPAC Name: 2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile
• SMILES: CC1=Cc2c(ccc(Nc3nc(Nc4cccc(C)c4)ncc3C#N)c2F)C1.CC1=Cc2c(ccc(Nc3nc(Nc4cccc(OCCN5CCOCC5)c4)ncc3C#N)c2F)C1.CC1=Cc2cc(Nc3nc(Nc4cccc(OCCCN5CCOCC5)c4)ncc3C#N)ccc2C1.CC1=Cc2cc(Nc3nc(Nc4cccc(OCCN5CCOCC5)c4)ncc3C#N)ccc2C1.CC1=Cc2cc(Oc3nc(Nc4cccc(OCCCN5CCOCC5)c4)ncc3C#N)ccc2C1.COc1ccc(Nc2ncc(C#N)c(Nc3ccc4c(c3)C=C(C)C4)n2)cc1OC
• InChI: InChI=1S/C28H30N6O2.C28H29N5O3.C27H27FN6O2.C27H28N6O2.C23H21N5O2.C22H18FN5/c1-20-14-21-6-7-25(16-22(21)15-20)31-27-23(18-29)19-30-28(33-27)32-24-4-2-5-26(17-24)36-11-3-8-34-9-12-35-13-10-34;1-20-14-21-6-7-26(16-22(21)15-20)36-27-23(18-29)19-30-28(32-27)31-24-4-2-5-25(17-24)35-11-3-8-33-9-12-34-13-10-33;1-18-13-19-5-6-24(25(28)23(19)14-18)32-26-20(16-29)17-30-27(33-26)31-21-3-2-4-22(15-21)36-12-9-34-7-10-35-11-8-34;1-19-13-20-5-6-24(15-21(20)14-19)30-26-22(17-28)18-29-27(32-26)31-23-3-2-4-25(16-23)35-12-9-33-7-10-34-11-8-33;1-14-8-15-4-5-18(10-16(15)9-14)26-22-17(12-24)13-25-23(28-22)27-19-6-7-20(29-2)21(11-19)30-3;1-13-4-3-5-17(9-13)26-22-25-12-16(11-24)21(28-22)27-19-7-6-15-8-14(2)10-18(15)20(19)23/h2,4-7,15-17,19H,3,8-14H2,1H3,(H2,30,31,32,33);2,4-7,15-17,19H,3,8-14H2,1H3,(H,30,31,32);2-6,14-15,17H,7-13H2,1H3,(H2,30,31,32,33);2-6,14-16,18H,7-13H2,1H3,(H2,29,30,31,32);4-7,9-11,13H,8H2,1-3H3,(H2,25,26,27,28);3-7,9-10,12H,8H2,1-2H3,(H2,25,26,27,28)
• InChIKey: LEJIQEOXZQUVKM-UHFFFAOYSA-N
• XLogP: 29.05
• TPSA: 544.24 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 44
• Rotatable Bonds: 44
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2692.14
LogP ≤ 5	29.05
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile?

The IUPAC name of 2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile (CID 159326000) is 2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile.

What is the SMILES notation for 2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile?

The canonical SMILES for 2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile is CC1=Cc2c(ccc(Nc3nc(Nc4cccc(C)c4)ncc3C#N)c2F)C1.CC1=Cc2c(ccc(Nc3nc(Nc4cccc(OCCN5CCOCC5)c4)ncc3C#N)c2F)C1.CC1=Cc2cc(Nc3nc(Nc4cccc(OCCCN5CCOCC5)c4)ncc3C#N)ccc2C1.CC1=Cc2cc(Nc3nc(Nc4cccc(OCCN5CCOCC5)c4)ncc3C#N)ccc2C1.CC1=Cc2cc(Oc3nc(Nc4cccc(OCCCN5CCOCC5)c4)ncc3C#N)ccc2C1.COc1ccc(Nc2ncc(C#N)c(Nc3ccc4c(c3)C=C(C)C4)n2)cc1OC.

What is the InChIKey of 2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile?

The InChIKey is LEJIQEOXZQUVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2.C28H29N5O3.C27H27FN6O2.C27H28N6O2.C23H21N5O2.C22H18FN5/c1-20-14-21-6-7-25(16-22(21)15-20)31-27-23(18-29)19-30-28(33-27)32-24-4-2-5-26(17-24)36-11-3-8-34-9-12-35-13-10-34;1-20-14-21-6-7-26(16-22(21)15-20)36-27-23(18-29)19-30-28(32-27)31-24-4-2-5-25(17-24)35-11-3-8-33-9-12-34-13-10-33;1-18-13-19-5-6-24(25(28)23(19)14-18)32-26-20(16-29)17-30-27(33-26)31-21-3-2-4-22(15-21)36-12-9-34-7-10-35-11-8-34;1-19-13-20-5-6-24(15-21(20)14-19)30-26-22(17-28)18-29-27(32-26)31-23-3-2-4-25(16-23)35-12-9-33-7-10-34-11-8-33;1-14-8-15-4-5-18(10-16(15)9-14)26-22-17(12-24)13-25-23(28-22)27-19-6-7-20(29-2)21(11-19)30-3;1-13-4-3-5-17(9-13)26-22-25-12-16(11-24)21(28-22)27-19-7-6-15-8-14(2)10-18(15)20(19)23/h2,4-7,15-17,19H,3,8-14H2,1H3,(H2,30,31,32,33);2,4-7,15-17,19H,3,8-14H2,1H3,(H,30,31,32);2-6,14-15,17H,7-13H2,1H3,(H2,30,31,32,33);2-6,14-16,18H,7-13H2,1H3,(H2,29,30,31,32);4-7,9-11,13H,8H2,1-3H3,(H2,25,26,27,28);3-7,9-10,12H,8H2,1-2H3,(H2,25,26,27,28).

What are the key properties of 2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile?

2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile has a molecular weight of 2692.14 g/mol, XLogP of 29.05, 44 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyanilino)-4-[(2-methyl-1H-inden-5-yl)amino]pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-(3-methylanilino)pyrimidine-5-carbonitrile;4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)amino]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 159326000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).