2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide

C11H16N6S — CID 938883

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide
SMILESCNC(=S)N1CCN=C1Nc1nc(C)cc(C)n1
InChIInChI=1S/C11H16N6S/c1-7-6-8(2)15-9(14-7)16-10-13-4-5-17(10)11(18)12-3/h6H,4-5H2,1-3H3,(H,12,18)(H,13,14,15,16)
InChIKeyZCKAGTIIQVEIGE-UHFFFAOYSA-N
MW264.36 g/mol
LogP0.68
Rot. Bonds1

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide (PubChem CID 938883) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide
PubChem CID938883
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide
SMILESCNC(=S)N1CCN=C1Nc1nc(C)cc(C)n1
InChIInChI=1S/C11H16N6S/c1-7-6-8(2)15-9(14-7)16-10-13-4-5-17(10)11(18)12-3/h6H,4-5H2,1-3H3,(H,12,18)(H,13,14,15,16)
InChIKeyZCKAGTIIQVEIGE-UHFFFAOYSA-N
XLogP0.68
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide (CID 938883) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide is CNC(=S)N1CCN=C1Nc1nc(C)cc(C)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide?
The InChIKey is ZCKAGTIIQVEIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-7-6-8(2)15-9(14-7)16-10-13-4-5-17(10)11(18)12-3/h6H,4-5H2,1-3H3,(H,12,18)(H,13,14,15,16).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide has a molecular weight of 264.36 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methyl-4,5-dihydroimidazole-1-carbothioamide is sourced from PubChem (CID 938883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).