3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione

C14H21N5O3 — CID 82466435

IUPAC3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione
SMILESCOCCn1c(=O)n(C2CCNC2)c(=O)c2c1nc(C)n2C
InChIInChI=1S/C14H21N5O3/c1-9-16-12-11(17(9)2)13(20)19(10-4-5-15-8-10)14(21)18(12)6-7-22-3/h10,15H,4-8H2,1-3H3
InChIKeySFVXYTGUKYARRX-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.61
Rot. Bonds4

About 3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione

3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione (PubChem CID 82466435) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione
PubChem CID82466435
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione
SMILESCOCCn1c(=O)n(C2CCNC2)c(=O)c2c1nc(C)n2C
InChIInChI=1S/C14H21N5O3/c1-9-16-12-11(17(9)2)13(20)19(10-4-5-15-8-10)14(21)18(12)6-7-22-3/h10,15H,4-8H2,1-3H3
InChIKeySFVXYTGUKYARRX-UHFFFAOYSA-N
XLogP-0.61
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
CID 82465803
8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione
CID 82466184
3-ethyl-7-methyl-1-pyrrolidin-3-ylpurine-2,6-dione
CID 82466211
1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione
CID 59057360
3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione
CID 82466531
3-(2-methoxyethyl)-7-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464231
7-(4-aminobutyl)-3-(2-methoxyethyl)-1,8-dimethylpurine-2,6-dione
CID 82465968
8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
CID 82465771
7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465978
3-ethyl-1,7,8-trimethylpurine-2,6-dione
CID 59939546
7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262819
3-(methoxymethylsulfonylmethyl)-1,7,8-trimethylpurine-2,6-dione
CID 59939552

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione?
The IUPAC name of 3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione (CID 82466435) is 3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione.
What is the SMILES notation for 3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione?
The canonical SMILES for 3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione is COCCn1c(=O)n(C2CCNC2)c(=O)c2c1nc(C)n2C.
What is the InChIKey of 3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione?
The InChIKey is SFVXYTGUKYARRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-9-16-12-11(17(9)2)13(20)19(10-4-5-15-8-10)14(21)18(12)6-7-22-3/h10,15H,4-8H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione?
3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione has a molecular weight of 307.35 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione is sourced from PubChem (CID 82466435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).