2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride

C31H47Cl2N7O4 — CID 154984251

About 2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride

2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride (PubChem CID 154984251) has the molecular formula C31H47Cl2N7O4 and a molecular weight of 652.67 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride
• PubChem CID: 154984251
• Molecular Formula: C31H47Cl2N7O4
• Molecular Weight: 652.67 g/mol
• Exact Mass: 651.31
• IUPAC Name: 2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride
• SMILES: CC(C)N(CCN(C)C(=O)COCCN)C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1.Cl
• InChI: InChI=1S/C31H46ClN7O4.ClH/c1-21(2)39(11-10-36(4)27(41)19-43-16-9-33)18-25(23-5-7-24(32)8-6-23)31(42)38-14-12-37(13-15-38)30-28-22(3)17-26(40)29(28)34-20-35-30;/h5-8,20-22,25-26,40H,9-19,33H2,1-4H3;1H/t22-,25-,26-;/m1./s1
• InChIKey: GHVQVWHCVZIGQV-GHDQJUQYSA-N
• XLogP: 2.67
• TPSA: 128.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	652.67
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride?

The IUPAC name of 2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride (CID 154984251) is 2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride.

What is the SMILES notation for 2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride?

The canonical SMILES for 2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride is CC(C)N(CCN(C)C(=O)COCCN)C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1.Cl.

What is the InChIKey of 2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride?

The InChIKey is GHVQVWHCVZIGQV-GHDQJUQYSA-N. The full InChI is InChI=1S/C31H46ClN7O4.ClH/c1-21(2)39(11-10-36(4)27(41)19-43-16-9-33)18-25(23-5-7-24(32)8-6-23)31(42)38-14-12-37(13-15-38)30-28-22(3)17-26(40)29(28)34-20-35-30;/h5-8,20-22,25-26,40H,9-19,33H2,1-4H3;1H/t22-,25-,26-;/m1./s1.

What are the key properties of 2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride?

2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride has a molecular weight of 652.67 g/mol, XLogP of 2.67, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethoxy)-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 154984251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).