5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine

C13H19N5O2S — CID 56890178

IUPAC5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(-c2nccn2CCS(C)(=O)=O)cn1
InChIInChI=1S/C13H19N5O2S/c1-10(2)17-13-15-8-11(9-16-13)12-14-4-5-18(12)6-7-21(3,19)20/h4-5,8-10H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyUASYBPXVFLCQEG-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.21
Rot. Bonds6

About 5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine

5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 56890178) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID56890178
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(-c2nccn2CCS(C)(=O)=O)cn1
InChIInChI=1S/C13H19N5O2S/c1-10(2)17-13-15-8-11(9-16-13)12-14-4-5-18(12)6-7-21(3,19)20/h4-5,8-10H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyUASYBPXVFLCQEG-UHFFFAOYSA-N
XLogP1.21
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine (CID 56890178) is 5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1ncc(-c2nccn2CCS(C)(=O)=O)cn1.
What is the InChIKey of 5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is UASYBPXVFLCQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-10(2)17-13-15-8-11(9-16-13)12-14-4-5-18(12)6-7-21(3,19)20/h4-5,8-10H,6-7H2,1-3H3,(H,15,16,17).
What are the key properties of 5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine?
5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 309.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylsulfonylethyl)imidazol-2-yl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 56890178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).