2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide

C15H20N6O3 — CID 16626865

IUPAC2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide
SMILESCCCCn1c(C)cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12
InChIInChI=1S/C15H20N6O3/c1-4-5-6-19-9(2)7-20-11-12(17-14(19)20)18(3)15(24)21(13(11)23)8-10(16)22/h7H,4-6,8H2,1-3H3,(H2,16,22)
InChIKeyMHGALLJOVYMRLR-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.26
Rot. Bonds5

About 2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide

2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide (PubChem CID 16626865) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide
PubChem CID16626865
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide
SMILESCCCCn1c(C)cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12
InChIInChI=1S/C15H20N6O3/c1-4-5-6-19-9(2)7-20-11-12(17-14(19)20)18(3)15(24)21(13(11)23)8-10(16)22/h7H,4-6,8H2,1-3H3,(H2,16,22)
InChIKeyMHGALLJOVYMRLR-UHFFFAOYSA-N
XLogP-0.26
TPSA109.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-hexyl-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
CID 16610290
6-hexyl-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16610172
2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione
CID 6492188
6-ethyl-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3162624
4,7-dimethyl-2,6-bis(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
CID 6485051
benzyl 2-[6-(3-hydroxypropyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
CID 42536415
6-butan-2-yl-2-butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16805011
6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 709796
ethyl 2-[4,7-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxopurino[7,8-a]imidazol-6-yl]acetate
CID 16623622
6-[3-(dimethylamino)propyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4969814
2-butyl-6-(2-chlorophenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 7520567
benzyl 2-[6-(2-methoxyethyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
CID 16615739

Frequently Asked Questions

What is the IUPAC name of 2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide?
The IUPAC name of 2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide (CID 16626865) is 2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide?
The canonical SMILES for 2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide is CCCCn1c(C)cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12.
What is the InChIKey of 2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide?
The InChIKey is MHGALLJOVYMRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-4-5-6-19-9(2)7-20-11-12(17-14(19)20)18(3)15(24)21(13(11)23)8-10(16)22/h7H,4-6,8H2,1-3H3,(H2,16,22).
What are the key properties of 2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide?
2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide has a molecular weight of 332.36 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide is sourced from PubChem (CID 16626865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).