1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione

C17H22N8O3 — CID 10430235

IUPAC1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CCN2CCN(c3cn[nH]c(=O)c3)CC2)n(C)c1=O
InChIInChI=1S/C17H22N8O3/c1-21-15-14(16(27)22(2)17(21)28)25(11-18-15)8-5-23-3-6-24(7-4-23)12-9-13(26)20-19-10-12/h9-11H,3-8H2,1-2H3,(H,20,26)
InChIKeyRPLRPZIDBGFPQP-UHFFFAOYSA-N
MW386.42 g/mol
LogP-1.66
Rot. Bonds4

About 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione

1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione (PubChem CID 10430235) has the molecular formula C17H22N8O3 and a molecular weight of 386.42 g/mol. Its IUPAC name is 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione
PubChem CID10430235
Molecular FormulaC17H22N8O3
Molecular Weight386.42 g/mol
Exact Mass386.18
IUPAC Name1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CCN2CCN(c3cn[nH]c(=O)c3)CC2)n(C)c1=O
InChIInChI=1S/C17H22N8O3/c1-21-15-14(16(27)22(2)17(21)28)25(11-18-15)8-5-23-3-6-24(7-4-23)12-9-13(26)20-19-10-12/h9-11H,3-8H2,1-2H3,(H,20,26)
InChIKeyRPLRPZIDBGFPQP-UHFFFAOYSA-N
XLogP-1.66
TPSA114.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione with MolForge

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Related Compounds

1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 736564
1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]purine-2,6-dione;hydroiodide
CID 51042419
7-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione
CID 31310638
bis(7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione);methane;hydrochloride
CID 158526882
1,3-dimethyl-7-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]purine-2,6-dione
CID 56809659
7-[10-[4-(3-ethoxyphenyl)piperazin-1-yl]decyl]-1,3-dimethylpurine-2,6-dione
CID 70525913
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448878
1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione
CID 110175958
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]acetamide
CID 86763944
N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 86764047
7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 69053348
7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
CID 3070238

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione (CID 10430235) is 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione is Cn1c(=O)c2c(ncn2CCN2CCN(c3cn[nH]c(=O)c3)CC2)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione?
The InChIKey is RPLRPZIDBGFPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O3/c1-21-15-14(16(27)22(2)17(21)28)25(11-18-15)8-5-23-3-6-24(7-4-23)12-9-13(26)20-19-10-12/h9-11H,3-8H2,1-2H3,(H,20,26).
What are the key properties of 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione?
1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione has a molecular weight of 386.42 g/mol, XLogP of -1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione is sourced from PubChem (CID 10430235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).