1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide

C153H195F4N33O24S5 — CID 158661699

About 1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide

1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide (PubChem CID 158661699) has the molecular formula C153H195F4N33O24S5 and a molecular weight of 3116.78 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide.

Molecular Properties

• Compound Name: 1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide
• PubChem CID: 158661699
• Molecular Formula: C153H195F4N33O24S5
• Molecular Weight: 3116.78 g/mol
• Exact Mass: 3114.36
• IUPAC Name: 1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide
• SMILES: Cc1ccc(N2CCCCS2(=O)=O)cc1.Cc1ccc(N2CCCCS2(=O)=O)cc1F.Cc1ccc(N2CCCCS2(=O)=O)cn1.Cc1ccc(N2CCCNC2=O)cc1F.Cc1ccc(N2CCCNS2(=O)=O)cc1.Cc1ccc(N2CCNCC2=O)cc1.Cc1ccc(N2CCNCC2=O)cc1F.Cc1ccc(N2CCNCC2=O)cn1.Cc1ccc(N2CCOCC2=O)cc1.Cc1ccc(N2CCOCC2=O)cc1F.Cc1ccc(N2CCOCC2=O)cn1.Cc1ncc(N2CCCCS2(=O)=O)cn1.Cc1ncc(N2CCCNC2=O)cn1.Cc1ncc(N2CCNCC2=O)cn1.Cc1ncc(N2CCOCC2=O)cn1
• InChI: InChI=1S/2C11H13FN2O.C11H14FNO2S.C11H12FNO2.C11H14N2O.C11H15NO2S.C11H13NO2.C10H13N3O.2C10H14N2O2S.C10H12N2O2.2C9H12N4O.C9H13N3O2S.C9H11N3O2/c1-8-3-4-9(7-10(8)12)14-6-2-5-13-11(14)15;1-8-2-3-9(6-10(8)12)14-5-4-13-7-11(14)15;1-9-4-5-10(8-11(9)12)13-6-2-3-7-16(13,14)15;1-8-2-3-9(6-10(8)12)13-4-5-15-7-11(13)14;1-9-2-4-10(5-3-9)13-7-6-12-8-11(13)14;1-10-4-6-11(7-5-10)12-8-2-3-9-15(12,13)14;1-9-2-4-10(5-3-9)12-6-7-14-8-11(12)13;1-8-2-3-9(6-12-8)13-5-4-11-7-10(13)14;1-9-3-5-10(6-4-9)12-8-2-7-11-15(12,13)14;1-9-4-5-10(8-11-9)12-6-2-3-7-15(12,13)14;1-8-2-3-9(6-11-8)12-4-5-14-7-10(12)13;1-7-11-4-8(5-12-7)13-3-2-10-6-9(13)14;1-7-11-5-8(6-12-7)13-4-2-3-10-9(13)14;1-8-10-6-9(7-11-8)12-4-2-3-5-15(12,13)14;1-7-10-4-8(5-11-7)12-2-3-14-6-9(12)13/h3-4,7H,2,5-6H2,1H3,(H,13,15);2-3,6,13H,4-5,7H2,1H3;4-5,8H,2-3,6-7H2,1H3;2-3,6H,4-5,7H2,1H3;2-5,12H,6-8H2,1H3;4-7H,2-3,8-9H2,1H3;2-5H,6-8H2,1H3;2-3,6,11H,4-5,7H2,1H3;3-6,11H,2,7-8H2,1H3;4-5,8H,2-3,6-7H2,1H3;2-3,6H,4-5,7H2,1H3;4-5,10H,2-3,6H2,1H3;5-6H,2-4H2,1H3,(H,10,14);6-7H,2-5H2,1H3;4-5H,2-3,6H2,1H3
• InChIKey: ICVKETQGFUJRJJ-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 652.92 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 15
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3116.78
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide?

The IUPAC name of 1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide (CID 158661699) is 1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide.

What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide?

The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide is Cc1ccc(N2CCCCS2(=O)=O)cc1.Cc1ccc(N2CCCCS2(=O)=O)cc1F.Cc1ccc(N2CCCCS2(=O)=O)cn1.Cc1ccc(N2CCCNC2=O)cc1F.Cc1ccc(N2CCCNS2(=O)=O)cc1.Cc1ccc(N2CCNCC2=O)cc1.Cc1ccc(N2CCNCC2=O)cc1F.Cc1ccc(N2CCNCC2=O)cn1.Cc1ccc(N2CCOCC2=O)cc1.Cc1ccc(N2CCOCC2=O)cc1F.Cc1ccc(N2CCOCC2=O)cn1.Cc1ncc(N2CCCCS2(=O)=O)cn1.Cc1ncc(N2CCCNC2=O)cn1.Cc1ncc(N2CCNCC2=O)cn1.Cc1ncc(N2CCOCC2=O)cn1.

What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide?

The InChIKey is ICVKETQGFUJRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H13FN2O.C11H14FNO2S.C11H12FNO2.C11H14N2O.C11H15NO2S.C11H13NO2.C10H13N3O.2C10H14N2O2S.C10H12N2O2.2C9H12N4O.C9H13N3O2S.C9H11N3O2/c1-8-3-4-9(7-10(8)12)14-6-2-5-13-11(14)15;1-8-2-3-9(6-10(8)12)14-5-4-13-7-11(14)15;1-9-4-5-10(8-11(9)12)13-6-2-3-7-16(13,14)15;1-8-2-3-9(6-10(8)12)13-4-5-15-7-11(13)14;1-9-2-4-10(5-3-9)13-7-6-12-8-11(13)14;1-10-4-6-11(7-5-10)12-8-2-3-9-15(12,13)14;1-9-2-4-10(5-3-9)12-6-7-14-8-11(12)13;1-8-2-3-9(6-12-8)13-5-4-11-7-10(13)14;1-9-3-5-10(6-4-9)12-8-2-7-11-15(12,13)14;1-9-4-5-10(8-11-9)12-6-2-3-7-15(12,13)14;1-8-2-3-9(6-11-8)12-4-5-14-7-10(12)13;1-7-11-4-8(5-12-7)13-3-2-10-6-9(13)14;1-7-11-5-8(6-12-7)13-4-2-3-10-9(13)14;1-8-10-6-9(7-11-8)12-4-2-3-5-15(12,13)14;1-7-10-4-8(5-11-7)12-2-3-14-6-9(12)13/h3-4,7H,2,5-6H2,1H3,(H,13,15);2-3,6,13H,4-5,7H2,1H3;4-5,8H,2-3,6-7H2,1H3;2-3,6H,4-5,7H2,1H3;2-5,12H,6-8H2,1H3;4-7H,2-3,8-9H2,1H3;2-5H,6-8H2,1H3;2-3,6,11H,4-5,7H2,1H3;3-6,11H,2,7-8H2,1H3;4-5,8H,2-3,6-7H2,1H3;2-3,6H,4-5,7H2,1H3;4-5,10H,2-3,6H2,1H3;5-6H,2-4H2,1H3,(H,10,14);6-7H,2-5H2,1H3;4-5H,2-3,6H2,1H3.

What are the key properties of 1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide?

1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide has a molecular weight of 3116.78 g/mol, XLogP of 15.63, 15 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide is sourced from PubChem (CID 158661699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).