1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione

C15H18N4O3 — CID 67830651

IUPAC1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione
SMILESCC(=O)Cn1c(C)nc2c1c(=O)n(C1CC1)c(=O)n2C1CC1
InChIInChI=1S/C15H18N4O3/c1-8(20)7-17-9(2)16-13-12(17)14(21)19(11-5-6-11)15(22)18(13)10-3-4-10/h10-11H,3-7H2,1-2H3
InChIKeyBQXYIFYSVKDVME-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.93
Rot. Bonds4

About 1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione

1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione (PubChem CID 67830651) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione.

Molecular Properties

Compound Name1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione
PubChem CID67830651
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione
SMILESCC(=O)Cn1c(C)nc2c1c(=O)n(C1CC1)c(=O)n2C1CC1
InChIInChI=1S/C15H18N4O3/c1-8(20)7-17-9(2)16-13-12(17)14(21)19(11-5-6-11)15(22)18(13)10-3-4-10/h10-11H,3-7H2,1-2H3
InChIKeyBQXYIFYSVKDVME-UHFFFAOYSA-N
XLogP0.93
TPSA78.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione?
The IUPAC name of 1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione (CID 67830651) is 1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione.
What is the SMILES notation for 1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione?
The canonical SMILES for 1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione is CC(=O)Cn1c(C)nc2c1c(=O)n(C1CC1)c(=O)n2C1CC1.
What is the InChIKey of 1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione?
The InChIKey is BQXYIFYSVKDVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-8(20)7-17-9(2)16-13-12(17)14(21)19(11-5-6-11)15(22)18(13)10-3-4-10/h10-11H,3-7H2,1-2H3.
What are the key properties of 1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione?
1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione has a molecular weight of 302.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopropyl-8-methyl-7-(2-oxopropyl)purine-2,6-dione is sourced from PubChem (CID 67830651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).