2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide

C9H12N6O2S — CID 137225021

IUPAC2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1
InChIInChI=1S/C9H12N6O2S/c1-15(2)4(16)3-18-9-11-5-6(13-9)12-8(10)14-7(5)17/h3H2,1-2H3,(H4,10,11,12,13,14,17)
InChIKeyDJKDEYMWPZYXIL-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.59
Rot. Bonds3

About 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide

2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide (PubChem CID 137225021) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide
PubChem CID137225021
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1
InChIInChI=1S/C9H12N6O2S/c1-15(2)4(16)3-18-9-11-5-6(13-9)12-8(10)14-7(5)17/h3H2,1-2H3,(H4,10,11,12,13,14,17)
InChIKeyDJKDEYMWPZYXIL-UHFFFAOYSA-N
XLogP-0.59
TPSA120.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide (CID 137225021) is 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide is CN(C)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1.
What is the InChIKey of 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide?
The InChIKey is DJKDEYMWPZYXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-15(2)4(16)3-18-9-11-5-6(13-9)12-8(10)14-7(5)17/h3H2,1-2H3,(H4,10,11,12,13,14,17).
What are the key properties of 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide?
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide has a molecular weight of 268.30 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 137225021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).