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

C15H26N6O2 — CID 73328328

IUPAC8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione
SMILESCCCN1C(N2CCN(CC)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C15H26N6O2/c1-4-6-21-11-12(18(3)15(23)17-13(11)22)16-14(21)20-9-7-19(5-2)8-10-20/h11-12H,4-10H2,1-3H3,(H,17,22,23)
InChIKeyZGMWAYNIZVOBOJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.42
Rot. Bonds3

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

8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione (PubChem CID 73328328) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione
PubChem CID73328328
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione
SMILESCCCN1C(N2CCN(CC)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C15H26N6O2/c1-4-6-21-11-12(18(3)15(23)17-13(11)22)16-14(21)20-9-7-19(5-2)8-10-20/h11-12H,4-10H2,1-3H3,(H,17,22,23)
InChIKeyZGMWAYNIZVOBOJ-UHFFFAOYSA-N
XLogP-0.42
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione 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
1,3,7-Trimethylxanthine, TMS
CID 427849
8-[(1,3-dimethyl-2,6-dioxo-5,7-dihydro-4H-purin-8-yl)disulfanyl]-1,3-dimethyl-5,7-dihydro-4H-purine-2,6-dione
CID 44346627
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613
8-[4-(2,2-Difluoroethyl)piperazin-1-yl]-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 133569139
1,3,9-trimethyl-6,7,8,9,10,11a-hexahydro-4aH-purino[7,8-a][1,3]diazepine-2,4-dione
CID 357305
1H-Purine-2,6-dione, 3,4,5,9-tetrahydro-1,3-dimethyl-
CID 3052767
3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide
CID 10729747
3-ethyl-5,7-dihydro-4H-purine-2,6-dione
CID 15346966
3-methyl-5,7-dihydro-4H-purine-2,6-dione
CID 15765823
1-Methyl-3,4,5,7-tetrahydropurine-2,6-dione
CID 23558449

Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione (CID 73328328) is 8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione is CCCN1C(N2CCN(CC)CC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione?
The InChIKey is ZGMWAYNIZVOBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-4-6-21-11-12(18(3)15(23)17-13(11)22)16-14(21)20-9-7-19(5-2)8-10-20/h11-12H,4-10H2,1-3H3,(H,17,22,23).
What are the key properties of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione?
8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione has a molecular weight of 322.41 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 73328328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).