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

C13H19N5O3 — CID 82465803

IUPAC8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
SMILESCOCc1nc2c(c(=O)n(C)c(=O)n2C)n1C1CCNC1
InChIInChI=1S/C13H19N5O3/c1-16-11-10(12(19)17(2)13(16)20)18(8-4-5-14-6-8)9(15-11)7-21-3/h8,14H,4-7H2,1-3H3
InChIKeySWHYDSWNUAZCCK-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.89
Rot. Bonds3

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

8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione (PubChem CID 82465803) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione.

Molecular Properties

Compound Name8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
PubChem CID82465803
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
SMILESCOCc1nc2c(c(=O)n(C)c(=O)n2C)n1C1CCNC1
InChIInChI=1S/C13H19N5O3/c1-16-11-10(12(19)17(2)13(16)20)18(8-4-5-14-6-8)9(15-11)7-21-3/h8,14H,4-7H2,1-3H3
InChIKeySWHYDSWNUAZCCK-UHFFFAOYSA-N
XLogP-0.89
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
CID 82465771
8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione
CID 82466184
1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione
CID 82465740
3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione
CID 82466435
7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
CID 154715805
1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 706307
3-ethyl-7-methyl-1-pyrrolidin-3-ylpurine-2,6-dione
CID 82466211
7-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione
CID 82463879
methyl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetate
CID 14261748
1,3-dimethyl-7-(3-methylbut-2-enyl)-8-piperidin-4-yloxypurine-2,6-dione
CID 73356668
7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262819
6-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262488

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione?
The IUPAC name of 8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione (CID 82465803) is 8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione.
What is the SMILES notation for 8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione?
The canonical SMILES for 8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione is COCc1nc2c(c(=O)n(C)c(=O)n2C)n1C1CCNC1.
What is the InChIKey of 8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione?
The InChIKey is SWHYDSWNUAZCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-16-11-10(12(19)17(2)13(16)20)18(8-4-5-14-6-8)9(15-11)7-21-3/h8,14H,4-7H2,1-3H3.
What are the key properties of 8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione?
8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione has a molecular weight of 293.33 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione is sourced from PubChem (CID 82465803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).