8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione

C17H24N4O2 — CID 11723303

IUPAC8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c1nc(C(C1CC1)C1CC1)n2C
InChIInChI=1S/C17H24N4O2/c1-4-9-21-15-13(16(22)20(3)17(21)23)19(2)14(18-15)12(10-5-6-10)11-7-8-11/h10-12H,4-9H2,1-3H3
InChIKeyOFNQWUMXLWQBRC-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.75
Rot. Bonds5

About 8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione

8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione (PubChem CID 11723303) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione
PubChem CID11723303
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c1nc(C(C1CC1)C1CC1)n2C
InChIInChI=1S/C17H24N4O2/c1-4-9-21-15-13(16(22)20(3)17(21)23)19(2)14(18-15)12(10-5-6-10)11-7-8-11/h10-12H,4-9H2,1-3H3
InChIKeyOFNQWUMXLWQBRC-UHFFFAOYSA-N
XLogP1.75
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione
CID 15667115
8-(dicyclopropylmethyl)-1-(111C)methyl-3-propyl-7H-purine-2,6-dione
CID 5461877
1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464598
7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione
CID 82465885
7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione
CID 82465892
7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
CID 82464656
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
3-ethyl-1,7,8-trimethylpurine-2,6-dione
CID 59939546
1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione
CID 82466304
1-(1-aminopropan-2-yl)-7,8-dimethyl-3-propylpurine-2,6-dione
CID 82466284
8-[(E)-2-(furan-3-yl)ethenyl]-1,7-dimethyl-3-propylpurine-2,6-dione
CID 10757628
1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione
CID 82466246

Frequently Asked Questions

What is the IUPAC name of 8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione?
The IUPAC name of 8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione (CID 11723303) is 8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione.
What is the SMILES notation for 8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione?
The canonical SMILES for 8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione is CCCn1c(=O)n(C)c(=O)c2c1nc(C(C1CC1)C1CC1)n2C.
What is the InChIKey of 8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione?
The InChIKey is OFNQWUMXLWQBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-9-21-15-13(16(22)20(3)17(21)23)19(2)14(18-15)12(10-5-6-10)11-7-8-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione?
8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione has a molecular weight of 316.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione is sourced from PubChem (CID 11723303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).