7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione

C14H22N6O2 — CID 82463977

IUPAC7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione
SMILESCCn1c(CCN2CCNCC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H22N6O2/c1-3-20-10(4-7-19-8-5-15-6-9-19)16-12-11(20)13(21)17-14(22)18(12)2/h15H,3-9H2,1-2H3,(H,17,21,22)
InChIKeyAKJGYIBDOXYTIT-UHFFFAOYSA-N
MW306.37 g/mol
LogP-1.11
Rot. Bonds4

About 7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione

7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione (PubChem CID 82463977) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione
PubChem CID82463977
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione
SMILESCCn1c(CCN2CCNCC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H22N6O2/c1-3-20-10(4-7-19-8-5-15-6-9-19)16-12-11(20)13(21)17-14(22)18(12)2/h15H,3-9H2,1-2H3,(H,17,21,22)
InChIKeyAKJGYIBDOXYTIT-UHFFFAOYSA-N
XLogP-1.11
TPSA87.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione with MolForge

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Related Compounds

8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione
CID 7137080
7-ethyl-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione
CID 16812237
7-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione
CID 82463879
3-methyl-7-(2-methylpropyl)-8-propylpurine-2,6-dione
CID 123864477
2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetamide
CID 4278932
7-[(2-chlorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-3-methylpurine-2,6-dione
CID 4898223
8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CID 4894605
7-ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
CID 677004
ethyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate
CID 132585677
8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen
CID 143283838
8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 66485145
3,7-dimethyl-8-(2-methylpropyl)purine-2,6-dione
CID 70556316

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione?
The IUPAC name of 7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione (CID 82463977) is 7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione.
What is the SMILES notation for 7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione?
The canonical SMILES for 7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione is CCn1c(CCN2CCNCC2)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione?
The InChIKey is AKJGYIBDOXYTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-3-20-10(4-7-19-8-5-15-6-9-19)16-12-11(20)13(21)17-14(22)18(12)2/h15H,3-9H2,1-2H3,(H,17,21,22).
What are the key properties of 7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione?
7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione has a molecular weight of 306.37 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione is sourced from PubChem (CID 82463977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).