4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine

C13H18N4O2S — CID 56913490

IUPAC4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(-c2nccn2CCS(C)(=O)=O)n1
InChIInChI=1S/C13H18N4O2S/c1-10(2)12-14-5-4-11(16-12)13-15-6-7-17(13)8-9-20(3,18)19/h4-7,10H,8-9H2,1-3H3
InChIKeyPFXATUHSKRKBDR-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.51
Rot. Bonds5

About 4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine

4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine (PubChem CID 56913490) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine
PubChem CID56913490
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(-c2nccn2CCS(C)(=O)=O)n1
InChIInChI=1S/C13H18N4O2S/c1-10(2)12-14-5-4-11(16-12)13-15-6-7-17(13)8-9-20(3,18)19/h4-7,10H,8-9H2,1-3H3
InChIKeyPFXATUHSKRKBDR-UHFFFAOYSA-N
XLogP1.51
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-[2-(2-isopropylpyrimidin-4-yl)-1H-imidazol-1-yl]ethyl}-N-methylmethanesulfonamide
CID 70710650
2-[4-(1,1-Dioxidotetrahydro-3-thienyl)piperazin-1-yl]-4-methylpyrimidine
CID 72849895
4-Methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine
CID 95824699
1-(1-ethyl-1H-imidazol-2-yl)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methylmethanamine
CID 77083052
2-ethyl-4-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidine
CID 99948952
Sdccgsbi-0117210.P001
CID 42098108
2-[(1-Methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine
CID 52662458
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)pyrimidine
CID 167749596
4-Methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine
CID 167857061
4-Methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine
CID 167864844
2-[(1-Ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine
CID 167905578
N-({1-[(2-Isopropylpyrimidin-4-YL)methyl]pyrrolidin-3-YL}methyl)methanesulfonamide
CID 56745962

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine (CID 56913490) is 4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine is CC(C)c1nccc(-c2nccn2CCS(C)(=O)=O)n1.
What is the InChIKey of 4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine?
The InChIKey is PFXATUHSKRKBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10(2)12-14-5-4-11(16-12)13-15-6-7-17(13)8-9-20(3,18)19/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine?
4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine has a molecular weight of 294.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylsulfonylethyl)imidazol-2-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 56913490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).