sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane

C89H114FN24NaO18S4 — CID 163767253

About sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane

sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane (PubChem CID 163767253) has the molecular formula C89H114FN24NaO18S4 and a molecular weight of 1980.31 g/mol. Its IUPAC name is sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane.

Molecular Properties

• Compound Name: sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane
• PubChem CID: 163767253
• Molecular Formula: C89H114FN24NaO18S4
• Molecular Weight: 1980.31 g/mol
• Exact Mass: 1978.76
• IUPAC Name: sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane
• SMILES: C.C.CCCc1nc2c(C)c(-c3ncco3)nc(NCc3ccc(OC)cc3OC)n2n1.COc1ccc(CNc2nc(-c3ncco3)c(C)c3nc(CCS(=O)(=O)C4CC4)nn23)c(OC)c1.COc1ccc(CNc2nc(-c3ncco3)c(C)c3nc(CCS(=O)(=O)C4CC4)nn23)c(OC)c1.Cc1c(-c2ncco2)nc(N)n2nc(CCS(=O)(=O)C3CC3)nc12.O=S([O-])C1CC1.[2H]CC.[2H]CF.[Na+]
• InChI: InChI=1S/2C23H26N6O5S.C21H24N6O3.C14H16N6O3S.C3H6O2S.C2H6.CH3F.2CH4.Na/c2*1-14-20(22-24-9-10-34-22)27-23(25-13-15-4-5-16(32-2)12-18(15)33-3)29-21(14)26-19(28-29)8-11-35(30,31)17-6-7-17;1-5-6-17-24-19-13(2)18(20-22-9-10-30-20)25-21(27(19)26-17)23-12-14-7-8-15(28-3)11-16(14)29-4;1-8-11(13-16-5-6-23-13)18-14(15)20-12(8)17-10(19-20)4-7-24(21,22)9-2-3-9;4-6(5)3-1-2-3;2*1-2;;;/h2*4-5,9-10,12,17H,6-8,11,13H2,1-3H3,(H,25,27);7-11H,5-6,12H2,1-4H3,(H,23,25);5-6,9H,2-4,7H2,1H3,(H2,15,18);3H,1-2H2,(H,4,5);1-2H3;1H3;2*1H4;/q;;;;;;;;;+1/p-1/i;;;;;2*1D
• InChIKey: MDJRZLYHHLOWSP-LGBCRREISA-M
• XLogP: 10.05
• TPSA: 536.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 34
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1980.31
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane?

The IUPAC name of sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane (CID 163767253) is sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane.

What is the SMILES notation for sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane?

The canonical SMILES for sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane is C.C.CCCc1nc2c(C)c(-c3ncco3)nc(NCc3ccc(OC)cc3OC)n2n1.COc1ccc(CNc2nc(-c3ncco3)c(C)c3nc(CCS(=O)(=O)C4CC4)nn23)c(OC)c1.COc1ccc(CNc2nc(-c3ncco3)c(C)c3nc(CCS(=O)(=O)C4CC4)nn23)c(OC)c1.Cc1c(-c2ncco2)nc(N)n2nc(CCS(=O)(=O)C3CC3)nc12.O=S([O-])C1CC1.[2H]CC.[2H]CF.[Na+].

What is the InChIKey of sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane?

The InChIKey is MDJRZLYHHLOWSP-LGBCRREISA-M. The full InChI is InChI=1S/2C23H26N6O5S.C21H24N6O3.C14H16N6O3S.C3H6O2S.C2H6.CH3F.2CH4.Na/c2*1-14-20(22-24-9-10-34-22)27-23(25-13-15-4-5-16(32-2)12-18(15)33-3)29-21(14)26-19(28-29)8-11-35(30,31)17-6-7-17;1-5-6-17-24-19-13(2)18(20-22-9-10-30-20)25-21(27(19)26-17)23-12-14-7-8-15(28-3)11-16(14)29-4;1-8-11(13-16-5-6-23-13)18-14(15)20-12(8)17-10(19-20)4-7-24(21,22)9-2-3-9;4-6(5)3-1-2-3;2*1-2;;;/h2*4-5,9-10,12,17H,6-8,11,13H2,1-3H3,(H,25,27);7-11H,5-6,12H2,1-4H3,(H,23,25);5-6,9H,2-4,7H2,1H3,(H2,15,18);3H,1-2H2,(H,4,5);1-2H3;1H3;2*1H4;/q;;;;;;;;;+1/p-1/i;;;;;2*1D;;;.

What are the key properties of sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane?

sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane has a molecular weight of 1980.31 g/mol, XLogP of 10.05, 34 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;cyclopropanesulfinate;bis(2-(2-cyclopropylsulfonylethyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);2-(2-cyclopropylsulfonylethyl)-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;deuterioethane;deuterio(fluoro)methane;N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-2-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane is sourced from PubChem (CID 163767253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).