2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide

C17H26N6O4 — CID 657528

IUPAC2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide
SMILESCCCCCn1c(N2CCOCC2)nc2c1c(=O)n(CC(N)=O)c(=O)n2C
InChIInChI=1S/C17H26N6O4/c1-3-4-5-6-22-13-14(19-16(22)21-7-9-27-10-8-21)20(2)17(26)23(15(13)25)11-12(18)24/h3-11H2,1-2H3,(H2,18,24)
InChIKeyFYMZMAJQZWMCEU-UHFFFAOYSA-N
MW378.43 g/mol
LogP-0.59
Rot. Bonds7

About 2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide

2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide (PubChem CID 657528) has the molecular formula C17H26N6O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide
PubChem CID657528
Molecular FormulaC17H26N6O4
Molecular Weight378.43 g/mol
Exact Mass378.20
IUPAC Name2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide
SMILESCCCCCn1c(N2CCOCC2)nc2c1c(=O)n(CC(N)=O)c(=O)n2C
InChIInChI=1S/C17H26N6O4/c1-3-4-5-6-22-13-14(19-16(22)21-7-9-27-10-8-21)20(2)17(26)23(15(13)25)11-12(18)24/h3-11H2,1-2H3,(H2,18,24)
InChIKeyFYMZMAJQZWMCEU-UHFFFAOYSA-N
XLogP-0.59
TPSA117.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide?
The IUPAC name of 2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide (CID 657528) is 2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide?
The canonical SMILES for 2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide is CCCCCn1c(N2CCOCC2)nc2c1c(=O)n(CC(N)=O)c(=O)n2C.
What is the InChIKey of 2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide?
The InChIKey is FYMZMAJQZWMCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O4/c1-3-4-5-6-22-13-14(19-16(22)21-7-9-27-10-8-21)20(2)17(26)23(15(13)25)11-12(18)24/h3-11H2,1-2H3,(H2,18,24).
What are the key properties of 2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide?
2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide has a molecular weight of 378.43 g/mol, XLogP of -0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-8-morpholin-4-yl-2,6-dioxo-7-pentylpurin-1-yl)acetamide is sourced from PubChem (CID 657528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).