1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione

C15H23N5O2 — CID 82464563

IUPAC1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione
SMILESCCn1c(=O)c2c(nc(C3CCCN3)n2C)n(C(C)C)c1=O
InChIInChI=1S/C15H23N5O2/c1-5-19-14(21)11-13(20(9(2)3)15(19)22)17-12(18(11)4)10-7-6-8-16-10/h9-10,16H,5-8H2,1-4H3
InChIKeyLEMRCXOEMJDFJF-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.92
Rot. Bonds3

About 1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione

1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione (PubChem CID 82464563) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione.

Molecular Properties

Compound Name1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione
PubChem CID82464563
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione
SMILESCCn1c(=O)c2c(nc(C3CCCN3)n2C)n(C(C)C)c1=O
InChIInChI=1S/C15H23N5O2/c1-5-19-14(21)11-13(20(9(2)3)15(19)22)17-12(18(11)4)10-7-6-8-16-10/h9-10,16H,5-8H2,1-4H3
InChIKeyLEMRCXOEMJDFJF-UHFFFAOYSA-N
XLogP0.92
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464565
1-ethyl-7-methyl-8-(methylaminomethyl)-3-propan-2-ylpurine-2,6-dione
CID 82464569
7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione
CID 82466091
1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione
CID 82466396
3-(3-methoxypropyl)-7-methyl-8-pyrrolidin-2-ylpurine-2,6-dione
CID 82464321
7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82466474
7-ethyl-8-(ethylamino)-1-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464522
3-butan-2-yl-7-methyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82466380
1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione
CID 82466583
1-(2-aminobutyl)-8-ethyl-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82466335
3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464497
5-[7-methyl-2,6-dioxo-8-(2-piperidin-4-ylethyl)-3-propan-2-ylpurin-1-yl]pentanoic acid
CID 22077546

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione?
The IUPAC name of 1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione (CID 82464563) is 1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione.
What is the SMILES notation for 1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione?
The canonical SMILES for 1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione is CCn1c(=O)c2c(nc(C3CCCN3)n2C)n(C(C)C)c1=O.
What is the InChIKey of 1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione?
The InChIKey is LEMRCXOEMJDFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-5-19-14(21)11-13(20(9(2)3)15(19)22)17-12(18(11)4)10-7-6-8-16-10/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione?
1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione is sourced from PubChem (CID 82464563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).