N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine

C90H90N20O13S4 — CID 158786159

About N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine

N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 158786159) has the molecular formula C90H90N20O13S4 and a molecular weight of 1788.10 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine
• PubChem CID: 158786159
• Molecular Formula: C90H90N20O13S4
• Molecular Weight: 1788.10 g/mol
• Exact Mass: 1786.59
• IUPAC Name: N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine
• SMILES: CC(C)(C)OC(=O)Nc1ccccc1N.CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C=O)s1.CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)s1.Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)s1.Nc1nccc(-c2cccnc2)n1.O=Cc1ccc(C(=O)O)s1
• InChI: InChI=1S/C26H26N6O3S.C21H18N6OS.C17H18N2O4S.C11H16N2O2.C9H8N4.C6H4O3S/c1-26(2,3)35-25(34)32-21-9-5-4-8-20(21)30-23(33)22-11-10-18(36-22)16-29-24-28-14-12-19(31-24)17-7-6-13-27-15-17;22-16-5-1-2-6-18(16)26-20(28)19-8-7-15(29-19)13-25-21-24-11-9-17(27-21)14-4-3-10-23-12-14;1-17(2,3)23-16(22)19-13-7-5-4-6-12(13)18-15(21)14-9-8-11(10-20)24-14;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;10-9-12-5-3-8(13-9)7-2-1-4-11-6-7;7-3-4-1-2-5(10-4)6(8)9/h4-15H,16H2,1-3H3,(H,30,33)(H,32,34)(H,28,29,31);1-12H,13,22H2,(H,26,28)(H,24,25,27);4-10H,1-3H3,(H,18,21)(H,19,22);4-7H,12H2,1-3H3,(H,13,14);1-6H,(H2,10,12,13);1-3H,(H,8,9)
• InChIKey: IRSCBDWRRVPYGI-UHFFFAOYSA-N
• XLogP: 19.01
• TPSA: 491.86 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1788.10
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine?

The IUPAC name of N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine (CID 158786159) is N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine.

What is the SMILES notation for N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine?

The canonical SMILES for N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine is CC(C)(C)OC(=O)Nc1ccccc1N.CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C=O)s1.CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)s1.Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)s1.Nc1nccc(-c2cccnc2)n1.O=Cc1ccc(C(=O)O)s1.

What is the InChIKey of N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine?

The InChIKey is IRSCBDWRRVPYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3S.C21H18N6OS.C17H18N2O4S.C11H16N2O2.C9H8N4.C6H4O3S/c1-26(2,3)35-25(34)32-21-9-5-4-8-20(21)30-23(33)22-11-10-18(36-22)16-29-24-28-14-12-19(31-24)17-7-6-13-27-15-17;22-16-5-1-2-6-18(16)26-20(28)19-8-7-15(29-19)13-25-21-24-11-9-17(27-21)14-4-3-10-23-12-14;1-17(2,3)23-16(22)19-13-7-5-4-6-12(13)18-15(21)14-9-8-11(10-20)24-14;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;10-9-12-5-3-8(13-9)7-2-1-4-11-6-7;7-3-4-1-2-5(10-4)6(8)9/h4-15H,16H2,1-3H3,(H,30,33)(H,32,34)(H,28,29,31);1-12H,13,22H2,(H,26,28)(H,24,25,27);4-10H,1-3H3,(H,18,21)(H,19,22);4-7H,12H2,1-3H3,(H,13,14);1-6H,(H2,10,12,13);1-3H,(H,8,9).

What are the key properties of N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine?

N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 1788.10 g/mol, XLogP of 19.01, 21 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamate;tert-butyl N-[2-[[5-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate;5-formylthiophene-2-carboxylic acid;4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 158786159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).