3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione

C10H15N5O3 — CID 82465013

IUPAC3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione
SMILESCNc1nc2c([nH]1)c(=O)n(C)c(=O)n2CCOC
InChIInChI=1S/C10H15N5O3/c1-11-9-12-6-7(13-9)15(4-5-18-3)10(17)14(2)8(6)16/h4-5H2,1-3H3,(H2,11,12,13)
InChIKeyFOWMXBMVCYCPHB-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.89
Rot. Bonds4

About 3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione

3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione (PubChem CID 82465013) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione
PubChem CID82465013
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione
SMILESCNc1nc2c([nH]1)c(=O)n(C)c(=O)n2CCOC
InChIInChI=1S/C10H15N5O3/c1-11-9-12-6-7(13-9)15(4-5-18-3)10(17)14(2)8(6)16/h4-5H2,1-3H3,(H2,11,12,13)
InChIKeyFOWMXBMVCYCPHB-UHFFFAOYSA-N
XLogP-0.89
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione
CID 82465014
8-(3-aminopropyl)-3-(3-methoxypropyl)-1-methyl-7H-purine-2,6-dione
CID 82465103
3-(3-methoxypropyl)-1-methyl-8-pyrrolidin-2-yl-7H-purine-2,6-dione
CID 82465104
8-(2-ethoxyethylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 43591219
3-(2-methoxyethyl)-1-methyl-8-propylsulfanyl-6-sulfanylidene-7H-purin-2-one
CID 155704930
1,3-dimethyl-8-(3-methylpentan-2-ylamino)-7H-purine-2,6-dione
CID 61463587
8-(2,2-dimethylpropylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 61167628
sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 173252917
methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 159573699
7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione
CID 652075
1,8-dimethyl-3-(4,4,4-trifluorobutyl)-7H-purine-2,6-dione
CID 143088382
8-amino-3-butyl-1-methyl-7H-purine-2,6-dione
CID 82464669

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione?
The IUPAC name of 3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione (CID 82465013) is 3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione.
What is the SMILES notation for 3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione?
The canonical SMILES for 3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione is CNc1nc2c([nH]1)c(=O)n(C)c(=O)n2CCOC.
What is the InChIKey of 3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione?
The InChIKey is FOWMXBMVCYCPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-11-9-12-6-7(13-9)15(4-5-18-3)10(17)14(2)8(6)16/h4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of 3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione?
3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione has a molecular weight of 253.26 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione is sourced from PubChem (CID 82465013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).