3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one

C113H136Cl6N34O2S9 — CID 158395340

About 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one

3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 158395340) has the molecular formula C113H136Cl6N34O2S9 and a molecular weight of 2503.89 g/mol. Its IUPAC name is 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
• PubChem CID: 158395340
• Molecular Formula: C113H136Cl6N34O2S9
• Molecular Weight: 2503.89 g/mol
• Exact Mass: 2498.72
• IUPAC Name: 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
• SMILES: CCc1noc(C)c1CSc1nc(C)cc(=O)[nH]1.CCn1c(CSc2nc(C)cc(C)n2)cnc1Cl.Cc1cc(C)nc(SCc2c(Cl)cncc2Cl)n1.Cc1cc(C)nc(SCc2c(Cl)ncn2C)n1.Cc1cc(C)nc(SCc2cn(C)cn2)n1.Cc1cc(C)nc(SCc2cnc(Cl)n2C(C)C)n1.Cc1cc(C)nc(SCc2cncn2C2CCCC2)n1.Cc1cc(C)nc(SCc2nc3ccccn3c2Cl)n1.Cc1cc(C)nc(SCc2nccn2C(C)C)n1
• InChI: InChI=1S/C15H20N4S.C14H13ClN4S.C13H17ClN4S.C13H18N4S.C12H11Cl2N3S.C12H15ClN4S.C12H15N3O2S.C11H13ClN4S.C11H14N4S/c1-11-7-12(2)18-15(17-11)20-9-14-8-16-10-19(14)13-5-3-4-6-13;1-9-7-10(2)17-14(16-9)20-8-11-13(15)19-6-4-3-5-12(19)18-11;1-8(2)18-11(6-15-12(18)14)7-19-13-16-9(3)5-10(4)17-13;1-9(2)17-6-5-14-12(17)8-18-13-15-10(3)7-11(4)16-13;1-7-3-8(2)17-12(16-7)18-6-9-10(13)4-15-5-11(9)14;1-4-17-10(6-14-11(17)13)7-18-12-15-8(2)5-9(3)16-12;1-4-10-9(8(3)17-15-10)6-18-12-13-7(2)5-11(16)14-12;1-7-4-8(2)15-11(14-7)17-5-9-10(12)13-6-16(9)3;1-8-4-9(2)14-11(13-8)16-6-10-5-15(3)7-12-10/h7-8,10,13H,3-6,9H2,1-2H3;3-7H,8H2,1-2H3;5-6,8H,7H2,1-4H3;5-7,9H,8H2,1-4H3;3-5H,6H2,1-2H3;5-6H,4,7H2,1-3H3;5H,4,6H2,1-3H3,(H,13,14,16);4,6H,5H2,1-3H3;4-5,7H,6H2,1-3H3
• InChIKey: GXMBUJLONXHDFX-UHFFFAOYSA-N
• XLogP: 28.83
• TPSA: 415.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 44
• Rotatable Bonds: 32
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2503.89
LogP ≤ 5	28.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?

The IUPAC name of 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one (CID 158395340) is 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one.

What is the SMILES notation for 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?

The canonical SMILES for 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one is CCc1noc(C)c1CSc1nc(C)cc(=O)[nH]1.CCn1c(CSc2nc(C)cc(C)n2)cnc1Cl.Cc1cc(C)nc(SCc2c(Cl)cncc2Cl)n1.Cc1cc(C)nc(SCc2c(Cl)ncn2C)n1.Cc1cc(C)nc(SCc2cn(C)cn2)n1.Cc1cc(C)nc(SCc2cnc(Cl)n2C(C)C)n1.Cc1cc(C)nc(SCc2cncn2C2CCCC2)n1.Cc1cc(C)nc(SCc2nc3ccccn3c2Cl)n1.Cc1cc(C)nc(SCc2nccn2C(C)C)n1.

What is the InChIKey of 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?

The InChIKey is GXMBUJLONXHDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S.C14H13ClN4S.C13H17ClN4S.C13H18N4S.C12H11Cl2N3S.C12H15ClN4S.C12H15N3O2S.C11H13ClN4S.C11H14N4S/c1-11-7-12(2)18-15(17-11)20-9-14-8-16-10-19(14)13-5-3-4-6-13;1-9-7-10(2)17-14(16-9)20-8-11-13(15)19-6-4-3-5-12(19)18-11;1-8(2)18-11(6-15-12(18)14)7-19-13-16-9(3)5-10(4)17-13;1-9(2)17-6-5-14-12(17)8-18-13-15-10(3)7-11(4)16-13;1-7-3-8(2)17-12(16-7)18-6-9-10(13)4-15-5-11(9)14;1-4-17-10(6-14-11(17)13)7-18-12-15-8(2)5-9(3)16-12;1-4-10-9(8(3)17-15-10)6-18-12-13-7(2)5-11(16)14-12;1-7-4-8(2)15-11(14-7)17-5-9-10(12)13-6-16(9)3;1-8-4-9(2)14-11(13-8)16-6-10-5-15(3)7-12-10/h7-8,10,13H,3-6,9H2,1-2H3;3-7H,8H2,1-2H3;5-6,8H,7H2,1-4H3;5-7,9H,8H2,1-4H3;3-5H,6H2,1-2H3;5-6H,4,7H2,1-3H3;5H,4,6H2,1-3H3,(H,13,14,16);4,6H,5H2,1-3H3;4-5,7H,6H2,1-3H3.

What are the key properties of 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?

3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 2503.89 g/mol, XLogP of 28.83, 32 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 158395340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).