2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide

C14H22N6O — CID 146108059

IUPAC2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCN(C)c1ncnc2c1ncn2CC(=O)NCC(C)(C)C
InChIInChI=1S/C14H22N6O/c1-14(2,3)7-15-10(21)6-20-9-18-11-12(19(4)5)16-8-17-13(11)20/h8-9H,6-7H2,1-5H3,(H,15,21)
InChIKeyVYCDSGFJWRGIFH-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.05
Rot. Bonds4

About 2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide

2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide (PubChem CID 146108059) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide
PubChem CID146108059
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCN(C)c1ncnc2c1ncn2CC(=O)NCC(C)(C)C
InChIInChI=1S/C14H22N6O/c1-14(2,3)7-15-10(21)6-20-9-18-11-12(19(4)5)16-8-17-13(11)20/h8-9H,6-7H2,1-5H3,(H,15,21)
InChIKeyVYCDSGFJWRGIFH-UHFFFAOYSA-N
XLogP1.05
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(dimethylamino)purin-9-yl]-2-hydroxypropanoic acid
CID 11230471
5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol
CID 18687077
1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride
CID 54600646
2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium
CID 4184659
[(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol
CID 57270357
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine
CID 14022452
2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 21224553
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]acetic acid
CID 10913369
9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine
CID 155552908
N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide
CID 163900925
disodium;1-[6-(dimethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol
CID 11314841

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide (CID 146108059) is 2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide is CN(C)c1ncnc2c1ncn2CC(=O)NCC(C)(C)C.
What is the InChIKey of 2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is VYCDSGFJWRGIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-14(2,3)7-15-10(21)6-20-9-18-11-12(19(4)5)16-8-17-13(11)20/h8-9H,6-7H2,1-5H3,(H,15,21).
What are the key properties of 2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide?
2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 146108059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).