N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride

C88H107Cl2FN20O4 — CID 157094699

About N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride

N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride (PubChem CID 157094699) has the molecular formula C88H107Cl2FN20O4 and a molecular weight of 1600.87 g/mol. Its IUPAC name is N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride.

Molecular Properties

• Compound Name: N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride
• PubChem CID: 157094699
• Molecular Formula: C88H107Cl2FN20O4
• Molecular Weight: 1600.87 g/mol
• Exact Mass: 1598.82
• IUPAC Name: N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride
• SMILES: C/C=C/c1cc2c(Cl)nc(-c3ccccc3)nc2n1C.C=CC.CC(=O)NCCN.CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(CCC(=O)N3CCN(Cc4ccccc4)CC3)cc12.CCCc1cc2c(Cl)nc(-c3ccccc3)nc2n1C.CCCc1cc2c(NCCNC(C)=O)nc(-c3ccccc3)nc2[nH]1.F.[H][3H]
• InChI: InChI=1S/C30H35N7O2.C19H23N5O.C16H16ClN3.C16H14ClN3.C4H10N2O.C3H6.FH.H2/c1-22(38)31-14-15-32-29-26-20-25(33-30(26)35-28(34-29)24-10-6-3-7-11-24)12-13-27(39)37-18-16-36(17-19-37)21-23-8-4-2-5-9-23;1-3-7-15-12-16-18(21-11-10-20-13(2)25)23-17(24-19(16)22-15)14-8-5-4-6-9-14;2*1-3-7-12-10-13-14(17)18-15(19-16(13)20(12)2)11-8-5-4-6-9-11;1-4(7)6-3-2-5;1-3-2;;/h2-11,20H,12-19,21H2,1H3,(H,31,38)(H2,32,33,34,35);4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,20,25)(H2,21,22,23,24);4-6,8-10H,3,7H2,1-2H3;3-10H,1-2H3;2-3,5H2,1H3,(H,6,7);3H,1H2,2H3;2*1H/b;;;7-3+;;;;/i;;;;;;;1+2
• InChIKey: AFBLJYVMEKYTTO-JKPUEFABSA-N
• XLogP: 15.81
• TPSA: 305.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1600.87
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride?

The IUPAC name of N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride (CID 157094699) is N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride.

What is the SMILES notation for N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride?

The canonical SMILES for N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride is C/C=C/c1cc2c(Cl)nc(-c3ccccc3)nc2n1C.C=CC.CC(=O)NCCN.CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(CCC(=O)N3CCN(Cc4ccccc4)CC3)cc12.CCCc1cc2c(Cl)nc(-c3ccccc3)nc2n1C.CCCc1cc2c(NCCNC(C)=O)nc(-c3ccccc3)nc2[nH]1.F.[H][3H].

What is the InChIKey of N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride?

The InChIKey is AFBLJYVMEKYTTO-JKPUEFABSA-N. The full InChI is InChI=1S/C30H35N7O2.C19H23N5O.C16H16ClN3.C16H14ClN3.C4H10N2O.C3H6.FH.H2/c1-22(38)31-14-15-32-29-26-20-25(33-30(26)35-28(34-29)24-10-6-3-7-11-24)12-13-27(39)37-18-16-36(17-19-37)21-23-8-4-2-5-9-23;1-3-7-15-12-16-18(21-11-10-20-13(2)25)23-17(24-19(16)22-15)14-8-5-4-6-9-14;2*1-3-7-12-10-13-14(17)18-15(19-16(13)20(12)2)11-8-5-4-6-9-11;1-4(7)6-3-2-5;1-3-2;;/h2-11,20H,12-19,21H2,1H3,(H,31,38)(H2,32,33,34,35);4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,20,25)(H2,21,22,23,24);4-6,8-10H,3,7H2,1-2H3;3-10H,1-2H3;2-3,5H2,1H3,(H,6,7);3H,1H2,2H3;2*1H/b;;;7-3+;;;;/i;;;;;;;1+2.

What are the key properties of N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride?

N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride has a molecular weight of 1600.87 g/mol, XLogP of 15.81, 24 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)acetamide;N-[2-[[6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;4-chloro-7-methyl-2-phenyl-6-[(E)-prop-1-enyl]pyrrolo[2,3-d]pyrimidine;4-chloro-7-methyl-2-phenyl-6-propylpyrrolo[2,3-d]pyrimidine;N-[2-[(2-phenyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide;prop-1-ene;tritium monohydride;hydrofluoride is sourced from PubChem (CID 157094699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).