4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine

C164H179N29O19 — CID 157203807

About 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine

4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine (PubChem CID 157203807) has the molecular formula C164H179N29O19 and a molecular weight of 2860.42 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine
• PubChem CID: 157203807
• Molecular Formula: C164H179N29O19
• Molecular Weight: 2860.42 g/mol
• Exact Mass: 2858.39
• IUPAC Name: 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine
• SMILES: CN(C)CCCOc1cc(-c2ccnc(N)n2)cc2c1CC(C1COc3ccccc3C1)=N2.COc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OC4CCN(C)CC4)c3C1)CO2.COc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OCC4CCN(C)C4)c3C1)CO2.COc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OCC4CCOC4)c3C1)CO2.COc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OCCN4CCOCC4)c3C1)CO2.Nc1nccc(-c2cc3c(c(OCCN4CCOCC4)c2)CC(C2COc4ccccc4C2)=N3)n1
• InChI: InChI=1S/C28H31N5O4.2C28H31N5O3.C27H29N5O3.C27H28N4O4.C26H29N5O2/c1-34-21-2-3-26-19(13-21)12-20(17-37-26)24-16-22-25(31-24)14-18(23-4-5-30-28(29)32-23)15-27(22)36-11-8-33-6-9-35-10-7-33;1-33-9-6-20(7-10-33)36-27-14-17(23-5-8-30-28(29)32-23)13-25-22(27)15-24(31-25)19-11-18-12-21(34-2)3-4-26(18)35-16-19;1-33-8-6-17(14-33)15-35-27-12-18(23-5-7-30-28(29)32-23)11-25-22(27)13-24(31-25)20-9-19-10-21(34-2)3-4-26(19)36-16-20;28-27-29-6-5-22(31-27)19-14-24-21(26(15-19)34-12-9-32-7-10-33-11-8-32)16-23(30-24)20-13-18-3-1-2-4-25(18)35-17-20;1-32-20-2-3-25-18(9-20)8-19(15-35-25)23-12-21-24(30-23)10-17(22-4-6-29-27(28)31-22)11-26(21)34-14-16-5-7-33-13-16;1-31(2)10-5-11-32-25-14-18(21-8-9-28-26(27)30-21)13-23-20(25)15-22(29-23)19-12-17-6-3-4-7-24(17)33-16-19/h2-5,13-15,20H,6-12,16-17H2,1H3,(H2,29,30,32);3-5,8,12-14,19-20H,6-7,9-11,15-16H2,1-2H3,(H2,29,30,32);3-5,7,10-12,17,20H,6,8-9,13-16H2,1-2H3,(H2,29,30,32);1-6,14-15,20H,7-13,16-17H2,(H2,28,29,31);2-4,6,9-11,16,19H,5,7-8,12-15H2,1H3,(H2,28,29,31);3-4,6-9,13-14,19H,5,10-12,15-16H2,1-2H3,(H2,27,28,30)
• InChIKey: ARCNVOFEQLSOPJ-UHFFFAOYSA-N
• XLogP: 22.64
• TPSA: 576.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 48
• Rotatable Bonds: 37
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2860.42
LogP ≤ 5	22.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine?

The IUPAC name of 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine (CID 157203807) is 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine.

What is the SMILES notation for 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine?

The canonical SMILES for 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine is CN(C)CCCOc1cc(-c2ccnc(N)n2)cc2c1CC(C1COc3ccccc3C1)=N2.COc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OC4CCN(C)CC4)c3C1)CO2.COc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OCC4CCN(C)C4)c3C1)CO2.COc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OCC4CCOC4)c3C1)CO2.COc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OCCN4CCOCC4)c3C1)CO2.Nc1nccc(-c2cc3c(c(OCCN4CCOCC4)c2)CC(C2COc4ccccc4C2)=N3)n1.

What is the InChIKey of 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine?

The InChIKey is ARCNVOFEQLSOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4.2C28H31N5O3.C27H29N5O3.C27H28N4O4.C26H29N5O2/c1-34-21-2-3-26-19(13-21)12-20(17-37-26)24-16-22-25(31-24)14-18(23-4-5-30-28(29)32-23)15-27(22)36-11-8-33-6-9-35-10-7-33;1-33-9-6-20(7-10-33)36-27-14-17(23-5-8-30-28(29)32-23)13-25-22(27)15-24(31-25)19-11-18-12-21(34-2)3-4-26(18)35-16-19;1-33-8-6-17(14-33)15-35-27-12-18(23-5-7-30-28(29)32-23)11-25-22(27)13-24(31-25)20-9-19-10-21(34-2)3-4-26(19)36-16-20;28-27-29-6-5-22(31-27)19-14-24-21(26(15-19)34-12-9-32-7-10-33-11-8-32)16-23(30-24)20-13-18-3-1-2-4-25(18)35-17-20;1-32-20-2-3-25-18(9-20)8-19(15-35-25)23-12-21-24(30-23)10-17(22-4-6-29-27(28)31-22)11-26(21)34-14-16-5-7-33-13-16;1-31(2)10-5-11-32-25-14-18(21-8-9-28-26(27)30-21)13-23-20(25)15-22(29-23)19-12-17-6-3-4-7-24(17)33-16-19/h2-5,13-15,20H,6-12,16-17H2,1H3,(H2,29,30,32);3-5,8,12-14,19-20H,6-7,9-11,15-16H2,1-2H3,(H2,29,30,32);3-5,7,10-12,17,20H,6,8-9,13-16H2,1-2H3,(H2,29,30,32);1-6,14-15,20H,7-13,16-17H2,(H2,28,29,31);2-4,6,9-11,16,19H,5,7-8,12-15H2,1H3,(H2,28,29,31);3-4,6-9,13-14,19H,5,10-12,15-16H2,1-2H3,(H2,27,28,30).

What are the key properties of 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine?

4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine has a molecular weight of 2860.42 g/mol, XLogP of 22.64, 37 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-[3-(dimethylamino)propoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(oxolan-3-ylmethoxy)-3H-indol-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 157203807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).