2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide

C8H12N6O2S — CID 2641428

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C8H12N6O2S/c1-11-7(16)14-6(15)3-17-8-12-4(9)2-5(10)13-8/h2H,3H2,1H3,(H4,9,10,12,13)(H2,11,14,15,16)
InChIKeyMIXMTIVBOPMUDA-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.81
Rot. Bonds3

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide (PubChem CID 2641428) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
PubChem CID2641428
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C8H12N6O2S/c1-11-7(16)14-6(15)3-17-8-12-4(9)2-5(10)13-8/h2H,3H2,1H3,(H4,9,10,12,13)(H2,11,14,15,16)
InChIKeyMIXMTIVBOPMUDA-UHFFFAOYSA-N
XLogP-0.81
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide (CID 2641428) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide?
The InChIKey is MIXMTIVBOPMUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c1-11-7(16)14-6(15)3-17-8-12-4(9)2-5(10)13-8/h2H,3H2,1H3,(H4,9,10,12,13)(H2,11,14,15,16).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide has a molecular weight of 256.29 g/mol, XLogP of -0.81, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 2641428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).