2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide

C18H26N6O — CID 136535043

IUPAC2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide
SMILESNc1ncnc2c1ncn2CC(=O)NC1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H26N6O/c19-16-15-17(21-11-20-16)24(12-22-15)10-14(25)23-13-4-8-18(9-5-13)6-2-1-3-7-18/h11-13H,1-10H2,(H,23,25)(H2,19,20,21)
InChIKeyFCWXZCCKAATLSQ-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.42
Rot. Bonds3

About 2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide

2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide (PubChem CID 136535043) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide
PubChem CID136535043
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide
SMILESNc1ncnc2c1ncn2CC(=O)NC1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H26N6O/c19-16-15-17(21-11-20-16)24(12-22-15)10-14(25)23-13-4-8-18(9-5-13)6-2-1-3-7-18/h11-13H,1-10H2,(H,23,25)(H2,19,20,21)
InChIKeyFCWXZCCKAATLSQ-UHFFFAOYSA-N
XLogP2.42
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-Amino-N-cyclohexyl-9H-purine-9-carboxamide
CID 53485239
N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide
CID 90672557
N-(1-adamantyl)-6-amino-purine-9-carboxamide
CID 389362
n-[4-(2-Chloro-9h-purin-6-ylamino)-cyclohexylmethyl]-2,2,2-trifluoro-acetamide
CID 87459492
2-[6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylamino)purin-9-yl]-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 89987638
N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-fluoro-9-methylpurin-6-amine
CID 146289665
2-(6-Amino-9H-purin-9-yl)-N-(sec-butyl)acetamide
CID 55212930
3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide
CID 165416236
2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide
CID 165416237
N-[3-(6-aminopurin-9-yl)propyl]-1-(difluoromethyl)cyclopentane-1-carboxamide
CID 126834312
2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide
CID 154788704
N-{[4-fluoro-1-(9-methyl-9H-purin-6-yl)piperidin-4-yl]methyl}-2,2-dimethylpropanamide
CID 165432385

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide?
The IUPAC name of 2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide (CID 136535043) is 2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide?
The canonical SMILES for 2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide is Nc1ncnc2c1ncn2CC(=O)NC1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide?
The InChIKey is FCWXZCCKAATLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c19-16-15-17(21-11-20-16)24(12-22-15)10-14(25)23-13-4-8-18(9-5-13)6-2-1-3-7-18/h11-13H,1-10H2,(H,23,25)(H2,19,20,21).
What are the key properties of 2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide?
2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide has a molecular weight of 342.45 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-N-spiro[5.5]undecan-3-ylacetamide is sourced from PubChem (CID 136535043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).