2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine

C83H86N26O6 — CID 159787136

About 2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine

2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 159787136) has the molecular formula C83H86N26O6 and a molecular weight of 1543.78 g/mol. Its IUPAC name is 2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 159787136
• Molecular Formula: C83H86N26O6
• Molecular Weight: 1543.78 g/mol
• Exact Mass: 1542.72
• IUPAC Name: 2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
• SMILES: CNc1nc(NCCc2ccccc2OC)nc(Nc2ccc3ncccc3c2)n1.COc1ccc(Nc2nc(Nc3ccc4ncccc4c3)nc(NC(Cc3c[nH]c4ncccc34)C(N)=O)n2)cc1OC.COc1ccccc1CCNc1nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)nc(N(C)[C@@H](C)c2ccccc2)n1
• InChI: InChI=1S/C31H35N9O2.C30H28N10O3.C22H23N7O/c1-20(21-10-5-4-6-11-21)40(2)31-38-29(34-17-15-22-12-7-8-14-26(22)42-3)37-30(39-31)36-25(27(32)41)18-23-19-35-28-24(23)13-9-16-33-28;1-42-24-10-8-20(15-25(24)43-2)36-29-38-28(35-19-7-9-22-17(13-19)5-3-11-32-22)39-30(40-29)37-23(26(31)41)14-18-16-34-27-21(18)6-4-12-33-27;1-23-20-27-21(25-13-11-15-6-3-4-8-19(15)30-2)29-22(28-20)26-17-9-10-18-16(14-17)7-5-12-24-18/h4-14,16,19-20,25H,15,17-18H2,1-3H3,(H2,32,41)(H,33,35)(H2,34,36,37,38,39);3-13,15-16,23H,14H2,1-2H3,(H2,31,41)(H,33,34)(H3,35,36,37,38,39,40);3-10,12,14H,11,13H2,1-2H3,(H3,23,25,26,27,28,29)/t20-,25?;;/m0../s1
• InChIKey: NICAIHNHAGXJKX-SFXUFJQTSA-N
• XLogP: 12.29
• TPSA: 421.73 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1543.78
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine (CID 159787136) is 2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine is CNc1nc(NCCc2ccccc2OC)nc(Nc2ccc3ncccc3c2)n1.COc1ccc(Nc2nc(Nc3ccc4ncccc4c3)nc(NC(Cc3c[nH]c4ncccc34)C(N)=O)n2)cc1OC.COc1ccccc1CCNc1nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)nc(N(C)[C@@H](C)c2ccccc2)n1.

What is the InChIKey of 2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?

The InChIKey is NICAIHNHAGXJKX-SFXUFJQTSA-N. The full InChI is InChI=1S/C31H35N9O2.C30H28N10O3.C22H23N7O/c1-20(21-10-5-4-6-11-21)40(2)31-38-29(34-17-15-22-12-7-8-14-26(22)42-3)37-30(39-31)36-25(27(32)41)18-23-19-35-28-24(23)13-9-16-33-28;1-42-24-10-8-20(15-25(24)43-2)36-29-38-28(35-19-7-9-22-17(13-19)5-3-11-32-22)39-30(40-29)37-23(26(31)41)14-18-16-34-27-21(18)6-4-12-33-27;1-23-20-27-21(25-13-11-15-6-3-4-8-19(15)30-2)29-22(28-20)26-17-9-10-18-16(14-17)7-5-12-24-18/h4-14,16,19-20,25H,15,17-18H2,1-3H3,(H2,32,41)(H,33,35)(H2,34,36,37,38,39);3-13,15-16,23H,14H2,1-2H3,(H2,31,41)(H,33,34)(H3,35,36,37,38,39,40);3-10,12,14H,11,13H2,1-2H3,(H3,23,25,26,27,28,29)/t20-,25?;;/m0../s1.

What are the key properties of 2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?

2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1543.78 g/mol, XLogP of 12.29, 32 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(3,4-dimethoxyanilino)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[2-(2-methoxyphenyl)ethylamino]-6-[methyl-[(1S)-1-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159787136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).