8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione

C12H18N4O3 — CID 24870923

IUPAC8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione
SMILESCOCC1=NC2C(=O)N(C)C(=O)N(CC(C)C)C2=N1
InChIInChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7,9H,5-6H2,1-4H3
InChIKeyBHUJTIQGCXJDBT-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.36
Rot. Bonds4

About 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione

8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione (PubChem CID 24870923) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione.

Molecular Properties

Compound Name8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione
PubChem CID24870923
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione
SMILESCOCC1=NC2C(=O)N(C)C(=O)N(CC(C)C)C2=N1
InChIInChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7,9H,5-6H2,1-4H3
InChIKeyBHUJTIQGCXJDBT-UHFFFAOYSA-N
XLogP0.36
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione?
The IUPAC name of 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione (CID 24870923) is 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione.
What is the SMILES notation for 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione?
The canonical SMILES for 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione is COCC1=NC2C(=O)N(C)C(=O)N(CC(C)C)C2=N1.
What is the InChIKey of 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione?
The InChIKey is BHUJTIQGCXJDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7,9H,5-6H2,1-4H3.
What are the key properties of 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione?
8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione has a molecular weight of 266.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione is sourced from PubChem (CID 24870923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).