2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide

C16H20N6O2S — CID 4968404

IUPAC2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CSc2nc(N)cc(N)n2)c1C
InChIInChI=1S/C16H20N6O2S/c1-9-4-3-5-11(10(9)2)20-14(23)7-19-15(24)8-25-16-21-12(17)6-13(18)22-16/h3-6H,7-8H2,1-2H3,(H,19,24)(H,20,23)(H4,17,18,21,22)
InChIKeyGNSXHLYFLJHHGR-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.10
Rot. Bonds6

About 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 4968404) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID4968404
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CSc2nc(N)cc(N)n2)c1C
InChIInChI=1S/C16H20N6O2S/c1-9-4-3-5-11(10(9)2)20-14(23)7-19-15(24)8-25-16-21-12(17)6-13(18)22-16/h3-6H,7-8H2,1-2H3,(H,19,24)(H,20,23)(H4,17,18,21,22)
InChIKeyGNSXHLYFLJHHGR-UHFFFAOYSA-N
XLogP1.10
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 4968404) is 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CNC(=O)CSc2nc(N)cc(N)n2)c1C.
What is the InChIKey of 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is GNSXHLYFLJHHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-9-4-3-5-11(10(9)2)20-14(23)7-19-15(24)8-25-16-21-12(17)6-13(18)22-16/h3-6H,7-8H2,1-2H3,(H,19,24)(H,20,23)(H4,17,18,21,22).
What are the key properties of 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 360.44 g/mol, XLogP of 1.10, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 4968404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).