7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione

C14H22N4O3 — CID 23455241

IUPAC7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
SMILESCCOC(C)n1cnc2c1c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C14H22N4O3/c1-6-21-10(4)18-8-15-12-11(18)13(19)16(5)14(20)17(12)7-9(2)3/h8-10H,6-7H2,1-5H3
InChIKeyWMOVZAVONAFABS-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.11
Rot. Bonds5

About 7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione

7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione (PubChem CID 23455241) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione.

Molecular Properties

Compound Name7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
PubChem CID23455241
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
SMILESCCOC(C)n1cnc2c1c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C14H22N4O3/c1-6-21-10(4)18-8-15-12-11(18)13(19)16(5)14(20)17(12)7-9(2)3/h8-10H,6-7H2,1-5H3
InChIKeyWMOVZAVONAFABS-UHFFFAOYSA-N
XLogP1.11
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-3,7-bis(2-methylpropyl)purine-2,6-dione
CID 13277161
7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 82465531
7-(difluoromethyl)-1,3-dimethylpurine-2,6-dione;ethane
CID 145188712
7-benzyl-1-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 3041753
ethyl (2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate
CID 26433996
[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]methyl benzoate
CID 23455172
1-methyl-7-(6-methyl-4,7-dioxooxepan-2-yl)-3-(2-methylpropyl)purine-2,6-dione
CID 23455312
1-methyl-3-(2-methylpropyl)-7-(2H-pyridin-1-ylmethyl)purine-2,6-dione
CID 23455225
1-(3-hydroxypropyl)-3,7-bis(2-methylpropyl)purine-2,6-dione
CID 110891810
methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 70150646
8-deuterio-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 90843454
1,7-dimethyl-8-(methylamino)-3-(2-methylpropyl)purine-2,6-dione
CID 82464966

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione?
The IUPAC name of 7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione (CID 23455241) is 7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione.
What is the SMILES notation for 7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione?
The canonical SMILES for 7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione is CCOC(C)n1cnc2c1c(=O)n(C)c(=O)n2CC(C)C.
What is the InChIKey of 7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione?
The InChIKey is WMOVZAVONAFABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-6-21-10(4)18-8-15-12-11(18)13(19)16(5)14(20)17(12)7-9(2)3/h8-10H,6-7H2,1-5H3.
What are the key properties of 7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione?
7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione has a molecular weight of 294.36 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione is sourced from PubChem (CID 23455241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).