2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide

C12H19N7O — CID 115669354

IUPAC2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C12H19N7O/c1-4-19(5-2)8(20)6-18(3)11-9-10(15-7-14-9)16-12(13)17-11/h7H,4-6H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyLFCMHHQMVPOTSF-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.24
Rot. Bonds5

About 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide

2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide (PubChem CID 115669354) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
PubChem CID115669354
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C12H19N7O/c1-4-19(5-2)8(20)6-18(3)11-9-10(15-7-14-9)16-12(13)17-11/h7H,4-6H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyLFCMHHQMVPOTSF-UHFFFAOYSA-N
XLogP0.24
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 115669355
ethyl 2-[(2-amino-7H-purin-6-yl)-methylamino]acetate
CID 114052448
6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine
CID 104623920
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 136989947
1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol
CID 104623697
2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide
CID 104925667
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 103325838
2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide
CID 62673044
2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
CID 115978158
[4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol
CID 72941332
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 104623147
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669357

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide (CID 115669354) is 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1nc(N)nc2nc[nH]c12.
What is the InChIKey of 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide?
The InChIKey is LFCMHHQMVPOTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-4-19(5-2)8(20)6-18(3)11-9-10(15-7-14-9)16-12(13)17-11/h7H,4-6H2,1-3H3,(H3,13,14,15,16,17).
What are the key properties of 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide?
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide has a molecular weight of 277.33 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 115669354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).