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

C11H17N5O3 — CID 82465014

IUPAC8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione
SMILESCCNc1nc2c([nH]1)c(=O)n(C)c(=O)n2CCOC
InChIInChI=1S/C11H17N5O3/c1-4-12-10-13-7-8(14-10)16(5-6-19-3)11(18)15(2)9(7)17/h4-6H2,1-3H3,(H2,12,13,14)
InChIKeyWJURUADLMBIKEP-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.50
Rot. Bonds5

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

8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione (PubChem CID 82465014) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione
PubChem CID82465014
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione
SMILESCCNc1nc2c([nH]1)c(=O)n(C)c(=O)n2CCOC
InChIInChI=1S/C11H17N5O3/c1-4-12-10-13-7-8(14-10)16(5-6-19-3)11(18)15(2)9(7)17/h4-6H2,1-3H3,(H2,12,13,14)
InChIKeyWJURUADLMBIKEP-UHFFFAOYSA-N
XLogP-0.50
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione
CID 82465013
8-(2-ethoxyethylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 43591219
8-(2,2-dimethylpropylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 61167628
3-(2-methoxyethyl)-1-methyl-8-propylsulfanyl-6-sulfanylidene-7H-purin-2-one
CID 155704930
8-(3-aminopropyl)-3-(3-methoxypropyl)-1-methyl-7H-purine-2,6-dione
CID 82465103
8-amino-3-butyl-1-methyl-7H-purine-2,6-dione
CID 82464669
8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione
CID 61043557
1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione
CID 82465250
8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione
CID 6928527
1,3-dimethyl-8-(3-methylpentan-2-ylamino)-7H-purine-2,6-dione
CID 61463587
1,8-dimethyl-3-(4,4,4-trifluorobutyl)-7H-purine-2,6-dione
CID 143088382
3-(3-methoxypropyl)-1-methyl-8-pyrrolidin-2-yl-7H-purine-2,6-dione
CID 82465104

Frequently Asked Questions

What is the IUPAC name of 8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione?
The IUPAC name of 8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione (CID 82465014) is 8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione is CCNc1nc2c([nH]1)c(=O)n(C)c(=O)n2CCOC.
What is the InChIKey of 8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione?
The InChIKey is WJURUADLMBIKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-4-12-10-13-7-8(14-10)16(5-6-19-3)11(18)15(2)9(7)17/h4-6H2,1-3H3,(H2,12,13,14).
What are the key properties of 8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione?
8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione has a molecular weight of 267.29 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione is sourced from PubChem (CID 82465014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).