8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione

C20H30N4O2 — CID 15667115

IUPAC8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione
SMILESCCCn1c(=O)c2c(nc(C(C3CC3)C3CC3)n2CC)n(CCC)c1=O
InChIInChI=1S/C20H30N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)22(6-3)17(21-18)15(13-7-8-13)14-9-10-14/h13-15H,4-12H2,1-3H3
InChIKeyHXWAWQNTQZSAJM-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.10
Rot. Bonds8

About 8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione

8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione (PubChem CID 15667115) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione.

Molecular Properties

Compound Name8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione
PubChem CID15667115
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione
SMILESCCCn1c(=O)c2c(nc(C(C3CC3)C3CC3)n2CC)n(CCC)c1=O
InChIInChI=1S/C20H30N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)22(6-3)17(21-18)15(13-7-8-13)14-9-10-14/h13-15H,4-12H2,1-3H3
InChIKeyHXWAWQNTQZSAJM-UHFFFAOYSA-N
XLogP3.10
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione
CID 11723303
1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione
CID 82466554
1,7-diethyl-2,6-dioxo-3-propylpurine-8-carboxylic acid
CID 82464642
8-(dicyclopropylmethyl)-1-(111C)methyl-3-propyl-7H-purine-2,6-dione
CID 5461877
3-butyl-1-ethyl-8-(hydroxymethyl)-7-propylpurine-2,6-dione
CID 110882468
1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione
CID 82466600
7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
CID 82464656
1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
CID 82466550
1,3,7-triethyl-8-(methylamino)purine-2,6-dione
CID 82464428
8-bromo-7-(3-chloropropyl)-1,3-dipropylpurine-2,6-dione
CID 91054825
[8-cyclopentyl-1-(2-hydroxypropyl)-2,6-dioxo-3-propylpurin-7-yl]methyl 2,2-dimethylpropanoate
CID 10694140
7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione
CID 82465892

Frequently Asked Questions

What is the IUPAC name of 8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione?
The IUPAC name of 8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione (CID 15667115) is 8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione.
What is the SMILES notation for 8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione?
The canonical SMILES for 8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione is CCCn1c(=O)c2c(nc(C(C3CC3)C3CC3)n2CC)n(CCC)c1=O.
What is the InChIKey of 8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione?
The InChIKey is HXWAWQNTQZSAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)22(6-3)17(21-18)15(13-7-8-13)14-9-10-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione?
8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione has a molecular weight of 358.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dicyclopropylmethyl)-7-ethyl-1,3-dipropylpurine-2,6-dione is sourced from PubChem (CID 15667115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).