3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione

C11H15N5O2 — CID 82466111

IUPAC3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione
SMILESCn1c(C2CCNC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C11H15N5O2/c1-15-7-9(16(2)11(18)14-10(7)17)13-8(15)6-3-4-12-5-6/h6,12H,3-5H2,1-2H3,(H,14,17,18)
InChIKeyGOXFJAZBDDYDTM-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.96
Rot. Bonds1

About 3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione

3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione (PubChem CID 82466111) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione.

Molecular Properties

Compound Name3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione
PubChem CID82466111
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione
SMILESCn1c(C2CCNC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C11H15N5O2/c1-15-7-9(16(2)11(18)14-10(7)17)13-8(15)6-3-4-12-5-6/h6,12H,3-5H2,1-2H3,(H,14,17,18)
InChIKeyGOXFJAZBDDYDTM-UHFFFAOYSA-N
XLogP-0.96
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464122
3-(2-methoxyethyl)-7-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464231
3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione
CID 82463934
3-methyl-7-piperidin-4-ylpurine-2,6-dione
CID 82465471
4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917936
4-methyl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917937
8-(2-azabicyclo[2.2.1]heptan-2-yl)-3,7-dimethylpurine-2,6-dione
CID 47370801
(7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
CID 840604
1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3163184
8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione
CID 129249128
3,7-dimethyl-8-nitropurine-2,6-dione
CID 4655815
8-(1-aminoethyl)-3,7-dimethylpurine-2,6-dione
CID 82463947

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione?
The IUPAC name of 3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione (CID 82466111) is 3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione.
What is the SMILES notation for 3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione?
The canonical SMILES for 3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione is Cn1c(C2CCNC2)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione?
The InChIKey is GOXFJAZBDDYDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-15-7-9(16(2)11(18)14-10(7)17)13-8(15)6-3-4-12-5-6/h6,12H,3-5H2,1-2H3,(H,14,17,18).
What are the key properties of 3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione?
3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione is sourced from PubChem (CID 82466111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).