4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride

C125H130Ac2Cl6N32O11-2 — CID 159251485

About 4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride

4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride (PubChem CID 159251485) has the molecular formula C125H130Ac2Cl6N32O11-2 and a molecular weight of 2923.35 g/mol. Its IUPAC name is 4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride
• PubChem CID: 159251485
• Molecular Formula: C125H130Ac2Cl6N32O11-2
• Molecular Weight: 2923.35 g/mol
• Exact Mass: 2918.93
• IUPAC Name: 4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride
• SMILES: CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCOCC3)cc12.CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)Nc3ccc(C)cc3)cc12.Cc1ccc(N=O)cc1.Cc1ccc(NC(=O)c2cc3c(Cl)nc(-c4ccccc4)nc3n2C)cc1.Cl.Clc1nc(-c2ccccc2)nc2[nH]ccc12.Cn1c(C(=O)N2CCOCC2)cc2c(Cl)nc(-c3ccccc3)nc21.Cn1ccc2c(Cl)nc(-c3ccccc3)nc21.O=C(Cl)N1CCOCC1.[Ac].[Ac].[NH-]CCN.[NH-]CCN
• InChI: InChI=1S/C24H24N6O2.C21H17ClN4O.C21H24N6O3.C18H17ClN4O2.C13H10ClN3.C12H8ClN3.C7H7NO.C5H8ClNO2.2C2H7N2.2Ac.ClH/c1-15-8-10-18(11-9-15)27-24(32)20-14-19-22(26-13-12-25-16(2)31)29-21(30-23(19)28-20)17-6-4-3-5-7-17;1-13-8-10-15(11-9-13)23-21(27)17-12-16-18(22)24-19(25-20(16)26(17)2)14-6-4-3-5-7-14;1-14(28)22-7-8-23-19-16-13-17(21(29)27-9-11-30-12-10-27)24-20(16)26-18(25-19)15-5-3-2-4-6-15;1-22-14(18(24)23-7-9-25-10-8-23)11-13-15(19)20-16(21-17(13)22)12-5-3-2-4-6-12;1-17-8-7-10-11(14)15-12(16-13(10)17)9-5-3-2-4-6-9;13-10-9-6-7-14-12(9)16-11(15-10)8-4-2-1-3-5-8;1-6-2-4-7(8-9)5-3-6;6-5(8)7-1-3-9-4-2-7;2*3-1-2-4;;;/h3-11,14H,12-13H2,1-2H3,(H,25,31)(H,27,32)(H2,26,28,29,30);3-12H,1-2H3,(H,23,27);2-6,13H,7-12H2,1H3,(H,22,28)(H2,23,24,25,26);2-6,11H,7-10H2,1H3;2-8H,1H3;1-7H,(H,14,15,16);2-5H,1H3;1-4H2;2*3H,1-2,4H2;;;1H/q;;;;;;;;2*-1
• InChIKey: HTLFJXLDHHYTIT-UHFFFAOYSA-N
• XLogP: 23.04
• TPSA: 574.99 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2923.35
LogP ≤ 5	23.04
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride?

The IUPAC name of 4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride (CID 159251485) is 4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride.

What is the SMILES notation for 4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride?

The canonical SMILES for 4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride is CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCOCC3)cc12.CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)Nc3ccc(C)cc3)cc12.Cc1ccc(N=O)cc1.Cc1ccc(NC(=O)c2cc3c(Cl)nc(-c4ccccc4)nc3n2C)cc1.Cl.Clc1nc(-c2ccccc2)nc2[nH]ccc12.Cn1c(C(=O)N2CCOCC2)cc2c(Cl)nc(-c3ccccc3)nc21.Cn1ccc2c(Cl)nc(-c3ccccc3)nc21.O=C(Cl)N1CCOCC1.[Ac].[Ac].[NH-]CCN.[NH-]CCN.

What is the InChIKey of 4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride?

The InChIKey is HTLFJXLDHHYTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2.C21H17ClN4O.C21H24N6O3.C18H17ClN4O2.C13H10ClN3.C12H8ClN3.C7H7NO.C5H8ClNO2.2C2H7N2.2Ac.ClH/c1-15-8-10-18(11-9-15)27-24(32)20-14-19-22(26-13-12-25-16(2)31)29-21(30-23(19)28-20)17-6-4-3-5-7-17;1-13-8-10-15(11-9-13)23-21(27)17-12-16-18(22)24-19(25-20(16)26(17)2)14-6-4-3-5-7-14;1-14(28)22-7-8-23-19-16-13-17(21(29)27-9-11-30-12-10-27)24-20(16)26-18(25-19)15-5-3-2-4-6-15;1-22-14(18(24)23-7-9-25-10-8-23)11-13-15(19)20-16(21-17(13)22)12-5-3-2-4-6-12;1-17-8-7-10-11(14)15-12(16-13(10)17)9-5-3-2-4-6-9;13-10-9-6-7-14-12(9)16-11(15-10)8-4-2-1-3-5-8;1-6-2-4-7(8-9)5-3-6;6-5(8)7-1-3-9-4-2-7;2*3-1-2-4;;;/h3-11,14H,12-13H2,1-2H3,(H,25,31)(H,27,32)(H2,26,28,29,30);3-12H,1-2H3,(H,23,27);2-6,13H,7-12H2,1H3,(H,22,28)(H2,23,24,25,26);2-6,11H,7-10H2,1H3;2-8H,1H3;1-7H,(H,14,15,16);2-5H,1H3;1-4H2;2*3H,1-2,4H2;;;1H/q;;;;;;;;2*-1;;;.

What are the key properties of 4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride?

4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride has a molecular weight of 2923.35 g/mol, XLogP of 23.04, 23 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-acetamidoethylamino)-N-(4-methylphenyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;actinium;bis(2-aminoethylazanide);4-chloro-7-methyl-N-(4-methylphenyl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide;4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine;(4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone;4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;1-methyl-4-nitrosobenzene;morpholine-4-carbonyl chloride;N-[2-[[6-(morpholine-4-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 159251485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).