2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde

C15H20N4O3 — CID 57137943

IUPAC2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde
SMILESCCCn1c(C2CCCC2)nc2c(=O)[nH]c(=O)n(CC=O)c21
InChIInChI=1S/C15H20N4O3/c1-2-7-18-12(10-5-3-4-6-10)16-11-13(21)17-15(22)19(8-9-20)14(11)18/h9-10H,2-8H2,1H3,(H,17,21,22)
InChIKeyVDTPEAWPMHOQLT-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.15
Rot. Bonds5

About 2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde

2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde (PubChem CID 57137943) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde
PubChem CID57137943
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde
SMILESCCCn1c(C2CCCC2)nc2c(=O)[nH]c(=O)n(CC=O)c21
InChIInChI=1S/C15H20N4O3/c1-2-7-18-12(10-5-3-4-6-10)16-11-13(21)17-15(22)19(8-9-20)14(11)18/h9-10H,2-8H2,1H3,(H,17,21,22)
InChIKeyVDTPEAWPMHOQLT-UHFFFAOYSA-N
XLogP1.15
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

8-cyclopentyl-7-methyl-1-propyl-3H-purine-2,6-dione
CID 10612506
7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464122
1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione
CID 82463753
(8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate
CID 10523576
8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione
CID 115925466
3-cyclopropyl-4-propyl-1H-1,2,4-triazol-5-one
CID 178200614
8-cyclopentyl-1,3-dipropyl-6-sulfanylidene-7H-purin-2-one
CID 19382381
5-cyclopentyl-2-cyclopropyl-3-propylimidazol-4-amine
CID 55049023
7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione
CID 19699213
2-cyclohexyl-5-propan-2-yl-3-propylimidazol-4-amine
CID 55048700
3-cyclopentyl-4-propyl-1H-1,2,4-triazole-5-thione
CID 115389911
2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one
CID 112707871

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde?
The IUPAC name of 2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde (CID 57137943) is 2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde?
The canonical SMILES for 2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde is CCCn1c(C2CCCC2)nc2c(=O)[nH]c(=O)n(CC=O)c21.
What is the InChIKey of 2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde?
The InChIKey is VDTPEAWPMHOQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-2-7-18-12(10-5-3-4-6-10)16-11-13(21)17-15(22)19(8-9-20)14(11)18/h9-10H,2-8H2,1H3,(H,17,21,22).
What are the key properties of 2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde?
2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde has a molecular weight of 304.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde is sourced from PubChem (CID 57137943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).