2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide

C22H28N10O3 — CID 58285342

IUPAC2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)N1CCC(n2cnc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1
InChIInChI=1S/C22H28N10O3/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/h11-13,15H,3-10H2,1-2H3,(H2,23,24,25)
InChIKeyGBIPLPWTENKEOG-UHFFFAOYSA-N
MW480.53 g/mol
LogP-0.05
Rot. Bonds3

About 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide

2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 58285342) has the molecular formula C22H28N10O3 and a molecular weight of 480.53 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.

Molecular Properties

Compound Name2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID58285342
Molecular FormulaC22H28N10O3
Molecular Weight480.53 g/mol
Exact Mass480.23
IUPAC Name2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)N1CCC(n2cnc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1
InChIInChI=1S/C22H28N10O3/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/h11-13,15H,3-10H2,1-2H3,(H2,23,24,25)
InChIKeyGBIPLPWTENKEOG-UHFFFAOYSA-N
XLogP-0.05
TPSA148.49 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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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?
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 (CID 58285342) is 2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide.
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?
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 is CN(C)C(=O)C(=O)N1CCC(n2cnc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1.
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?
The InChIKey is GBIPLPWTENKEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N10O3/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/h11-13,15H,3-10H2,1-2H3,(H2,23,24,25).
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-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 480.53 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 11 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 is sourced from PubChem (CID 58285342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).