2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide

C15H18N8O — CID 166341956

IUPAC2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESNc1ncnc2c1ncn2CC(=O)NCc1cc(C2CCC2)n[nH]1
InChIInChI=1S/C15H18N8O/c16-14-13-15(19-7-18-14)23(8-20-13)6-12(24)17-5-10-4-11(22-21-10)9-2-1-3-9/h4,7-9H,1-3,5-6H2,(H,17,24)(H,21,22)(H2,16,18,19)
InChIKeyADFRSFYEYIMKOR-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.72
Rot. Bonds5

About 2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide

2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 166341956) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
PubChem CID166341956
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESNc1ncnc2c1ncn2CC(=O)NCc1cc(C2CCC2)n[nH]1
InChIInChI=1S/C15H18N8O/c16-14-13-15(19-7-18-14)23(8-20-13)6-12(24)17-5-10-4-11(22-21-10)9-2-1-3-9/h4,7-9H,1-3,5-6H2,(H,17,24)(H,21,22)(H2,16,18,19)
InChIKeyADFRSFYEYIMKOR-UHFFFAOYSA-N
XLogP0.72
TPSA127.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium
CID 4184659
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide
CID 62664724
2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 166197352
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088
9-[2-(azetidin-3-yl)ethyl]purin-6-amine
CID 107391226
9-(2-cyclopentylethyl)purin-6-amine
CID 123505932
(2R)-2-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 129244508
N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide
CID 2755806
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]butanamide
CID 129244077
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 46963475

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide (CID 166341956) is 2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide is Nc1ncnc2c1ncn2CC(=O)NCc1cc(C2CCC2)n[nH]1.
What is the InChIKey of 2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide?
The InChIKey is ADFRSFYEYIMKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c16-14-13-15(19-7-18-14)23(8-20-13)6-12(24)17-5-10-4-11(22-21-10)9-2-1-3-9/h4,7-9H,1-3,5-6H2,(H,17,24)(H,21,22)(H2,16,18,19).
What are the key properties of 2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide?
2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 166341956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).