7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione

C19H24N4O4 — CID 17433874

IUPAC7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(C)c1)n2CCOC
InChIInChI=1S/C19H24N4O4/c1-5-8-23-17-15(18(24)21-19(23)25)22(9-10-26-3)16(20-17)13-6-7-14(27-4)12(2)11-13/h6-7,11H,5,8-10H2,1-4H3,(H,21,24,25)
InChIKeySOHMYGOPZZOZII-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.93
Rot. Bonds7

About 7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione

7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione (PubChem CID 17433874) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione
PubChem CID17433874
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(C)c1)n2CCOC
InChIInChI=1S/C19H24N4O4/c1-5-8-23-17-15(18(24)21-19(23)25)22(9-10-26-3)16(20-17)13-6-7-14(27-4)12(2)11-13/h6-7,11H,5,8-10H2,1-4H3,(H,21,24,25)
InChIKeySOHMYGOPZZOZII-UHFFFAOYSA-N
XLogP1.93
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione?
The IUPAC name of 7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione (CID 17433874) is 7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione.
What is the SMILES notation for 7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione?
The canonical SMILES for 7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(C)c1)n2CCOC.
What is the InChIKey of 7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione?
The InChIKey is SOHMYGOPZZOZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-5-8-23-17-15(18(24)21-19(23)25)22(9-10-26-3)16(20-17)13-6-7-14(27-4)12(2)11-13/h6-7,11H,5,8-10H2,1-4H3,(H,21,24,25).
What are the key properties of 7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione?
7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione has a molecular weight of 372.43 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione is sourced from PubChem (CID 17433874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).