7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione

C12H19N5O2 — CID 73328327

IUPAC7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCCN1C(N2CCCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C12H19N5O2/c1-3-17-8-9(15(2)12(19)14-10(8)18)13-11(17)16-6-4-5-7-16/h8-9H,3-7H2,1-2H3,(H,14,18,19)
InChIKeyHVNWCCZWNKBXOL-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.35
Rot. Bonds1

About 7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione

7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione (PubChem CID 73328327) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione
PubChem CID73328327
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCCN1C(N2CCCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C12H19N5O2/c1-3-17-8-9(15(2)12(19)14-10(8)18)13-11(17)16-6-4-5-7-16/h8-9H,3-7H2,1-2H3,(H,14,18,19)
InChIKeyHVNWCCZWNKBXOL-UHFFFAOYSA-N
XLogP-0.35
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione
CID 4072727
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine
CID 112163438
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 7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione (CID 73328327) is 7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione is CCN1C(N2CCCC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is HVNWCCZWNKBXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-17-8-9(15(2)12(19)14-10(8)18)13-11(17)16-6-4-5-7-16/h8-9H,3-7H2,1-2H3,(H,14,18,19).
What are the key properties of 7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione?
7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 265.32 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 73328327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).