2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride

C44H58Cl2N20O6 — CID 157210451

About 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride

2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride (PubChem CID 157210451) has the molecular formula C44H58Cl2N20O6 and a molecular weight of 1033.99 g/mol. Its IUPAC name is 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride
• PubChem CID: 157210451
• Molecular Formula: C44H58Cl2N20O6
• Molecular Weight: 1033.99 g/mol
• Exact Mass: 1032.42
• IUPAC Name: 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride
• SMILES: CN(C)C(=O)C(=O)Cl.CN(C)C(=O)C(=O)N1CCC(n2cnc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1.Cl.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)cn1
• InChI: InChI=1S/C22H28N10O3.C18H23N9O.C4H6ClNO2.ClH/c1-29(2)19(33)20(34)30-5-3-15(4-6-30)32-13-26-17-16(14-11-24-21(23)25-12-14)27-22(28-18(17)32)31-7-9-35-10-8-31;19-17-21-9-12(10-22-17)14-15-16(25-18(24-14)26-5-7-28-8-6-26)27(11-23-15)13-1-3-20-4-2-13;1-6(2)4(8)3(5)7;/h11-13,15H,3-10H2,1-2H3,(H2,23,24,25);9-11,13,20H,1-8H2,(H2,19,21,22);1-2H3;1H
• InChIKey: CWJMODBKXUVCSF-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 305.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.99
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride?

The IUPAC name of 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride (CID 157210451) is 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride.

What is the SMILES notation for 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride?

The canonical SMILES for 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride is CN(C)C(=O)C(=O)Cl.CN(C)C(=O)C(=O)N1CCC(n2cnc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1.Cl.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)cn1.

What is the InChIKey of 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride?

The InChIKey is CWJMODBKXUVCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N10O3.C18H23N9O.C4H6ClNO2.ClH/c1-29(2)19(33)20(34)30-5-3-15(4-6-30)32-13-26-17-16(14-11-24-21(23)25-12-14)27-22(28-18(17)32)31-7-9-35-10-8-31;19-17-21-9-12(10-22-17)14-15-16(25-18(24-14)26-5-7-28-8-6-26)27(11-23-15)13-1-3-20-4-2-13;1-6(2)4(8)3(5)7;/h11-13,15H,3-10H2,1-2H3,(H2,23,24,25);9-11,13,20H,1-8H2,(H2,19,21,22);1-2H3;1H.

What are the key properties of 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride?

2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride has a molecular weight of 1033.99 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide;2-(dimethylamino)-2-oxoacetyl chloride;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 157210451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).