7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione

C15H18N4O3S — CID 5030010

IUPAC7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccs1)n2CCOC
InChIInChI=1S/C15H18N4O3S/c1-3-6-19-13-11(14(20)17-15(19)21)18(7-8-22-2)12(16-13)10-5-4-9-23-10/h4-5,9H,3,6-8H2,1-2H3,(H,17,20,21)
InChIKeyIEFKQIWSAREEQT-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.67
Rot. Bonds6

About 7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione

7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione (PubChem CID 5030010) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione
PubChem CID5030010
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccs1)n2CCOC
InChIInChI=1S/C15H18N4O3S/c1-3-6-19-13-11(14(20)17-15(19)21)18(7-8-22-2)12(16-13)10-5-4-9-23-10/h4-5,9H,3,6-8H2,1-2H3,(H,17,20,21)
InChIKeyIEFKQIWSAREEQT-UHFFFAOYSA-N
XLogP1.67
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione?
The IUPAC name of 7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione (CID 5030010) is 7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione.
What is the SMILES notation for 7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione?
The canonical SMILES for 7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccs1)n2CCOC.
What is the InChIKey of 7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione?
The InChIKey is IEFKQIWSAREEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-3-6-19-13-11(14(20)17-15(19)21)18(7-8-22-2)12(16-13)10-5-4-9-23-10/h4-5,9H,3,6-8H2,1-2H3,(H,17,20,21).
What are the key properties of 7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione?
7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione has a molecular weight of 334.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione is sourced from PubChem (CID 5030010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).