N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide

C17H28N6O3 — CID 53237792

IUPACN-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide
SMILESCN1C(=O)C2C(N=CN2CC(=O)NC2CCC(N(C)C)CC2)N(C)C1=O
InChIInChI=1S/C17H28N6O3/c1-20(2)12-7-5-11(6-8-12)19-13(24)9-23-10-18-15-14(23)16(25)22(4)17(26)21(15)3/h10-12,14-15H,5-9H2,1-4H3,(H,19,24)
InChIKeyCYWMUIADYOWGDY-UHFFFAOYSA-N
MW364.45 g/mol
LogP-0.46
Rot. Bonds4

About N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide

N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide (PubChem CID 53237792) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide
PubChem CID53237792
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC NameN-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide
SMILESCN1C(=O)C2C(N=CN2CC(=O)NC2CCC(N(C)C)CC2)N(C)C1=O
InChIInChI=1S/C17H28N6O3/c1-20(2)12-7-5-11(6-8-12)19-13(24)9-23-10-18-15-14(23)16(25)22(4)17(26)21(15)3/h10-12,14-15H,5-9H2,1-4H3,(H,19,24)
InChIKeyCYWMUIADYOWGDY-UHFFFAOYSA-N
XLogP-0.46
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide with MolForge

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Related Compounds

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
1-(5-Fluorohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 118505248
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613
1,3,9-trimethyl-6,7,8,9,10,11a-hexahydro-4aH-purino[7,8-a][1,3]diazepine-2,4-dione
CID 357305
3-ethyl-5,7-dihydro-4H-purine-2,6-dione
CID 15346966
3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 45272369
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide
CID 54760769
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide
CID 59121523
7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione
CID 70129820
7-ethyl-4,5-dihydro-3H-purine-2,6-dione
CID 76056259
N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide
CID 126733573

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide (CID 53237792) is N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide is CN1C(=O)C2C(N=CN2CC(=O)NC2CCC(N(C)C)CC2)N(C)C1=O.
What is the InChIKey of N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide?
The InChIKey is CYWMUIADYOWGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-20(2)12-7-5-11(6-8-12)19-13(24)9-23-10-18-15-14(23)16(25)22(4)17(26)21(15)3/h10-12,14-15H,5-9H2,1-4H3,(H,19,24).
What are the key properties of N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide?
N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide has a molecular weight of 364.45 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide is sourced from PubChem (CID 53237792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).