2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide

C10H15N7O — CID 104925667

IUPAC2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H15N7O/c1-3-17(2)6(18)4-12-8-7-9(14-5-13-7)16-10(11)15-8/h5H,3-4H2,1-2H3,(H4,11,12,13,14,15,16)
InChIKeyHMYPEYBJUJAQKJ-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.17
Rot. Bonds4

About 2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide

2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide (PubChem CID 104925667) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide
PubChem CID104925667
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H15N7O/c1-3-17(2)6(18)4-12-8-7-9(14-5-13-7)16-10(11)15-8/h5H,3-4H2,1-2H3,(H4,11,12,13,14,15,16)
InChIKeyHMYPEYBJUJAQKJ-UHFFFAOYSA-N
XLogP-0.17
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
CID 104623604
1-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 104623688
3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide
CID 114143219
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
CID 115669354
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide
CID 127025055
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
CID 136870165

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide (CID 104925667) is 2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is HMYPEYBJUJAQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-3-17(2)6(18)4-12-8-7-9(14-5-13-7)16-10(11)15-8/h5H,3-4H2,1-2H3,(H4,11,12,13,14,15,16).
What are the key properties of 2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide?
2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide has a molecular weight of 249.28 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104925667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).