7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione

C13H22N6O3 — CID 78303873

IUPAC7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCOCCN1C(N2CCNCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C13H22N6O3/c1-17-10-9(11(20)16-13(17)21)19(7-8-22-2)12(15-10)18-5-3-14-4-6-18/h9-10,14H,3-8H2,1-2H3,(H,16,20,21)
InChIKeyJHFSYRCVIUMHPN-UHFFFAOYSA-N
MW310.36 g/mol
LogP-1.91
Rot. Bonds3

About 7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione

7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione (PubChem CID 78303873) has the molecular formula C13H22N6O3 and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
PubChem CID78303873
Molecular FormulaC13H22N6O3
Molecular Weight310.36 g/mol
Exact Mass310.18
IUPAC Name7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCOCCN1C(N2CCNCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C13H22N6O3/c1-17-10-9(11(20)16-13(17)21)19(7-8-22-2)12(15-10)18-5-3-14-4-6-18/h9-10,14H,3-8H2,1-2H3,(H,16,20,21)
InChIKeyJHFSYRCVIUMHPN-UHFFFAOYSA-N
XLogP-1.91
TPSA89.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione with MolForge

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Related Compounds

3-methyl-7-pentyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 78302977
8-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 73329035
8-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 74717489
8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 74806737
3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
CID 78303083
7-dodecyl-3-methyl-8-(4-methylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 45053494
3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78302969
8-[(E)-but-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 167999169
8-(4-ethylpiperazin-1-yl)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78379500
7-(2-methoxyethyl)-3-methyl-8-(2-piperidin-1-ylethylsulfanyl)-4,5-dihydropurine-2,6-dione
CID 78296134
7-hexadecyl-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
CID 78303401
methyl 2-[4-[3-methyl-7-(3-methylbutyl)-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetate
CID 74691455

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione (CID 78303873) is 7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione is COCCN1C(N2CCNCC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is JHFSYRCVIUMHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O3/c1-17-10-9(11(20)16-13(17)21)19(7-8-22-2)12(15-10)18-5-3-14-4-6-18/h9-10,14H,3-8H2,1-2H3,(H,16,20,21).
What are the key properties of 7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione?
7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 310.36 g/mol, XLogP of -1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78303873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).