sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide

C71H59Cl5F4N15NaO10 — CID 162049050

About sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide

sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide (PubChem CID 162049050) has the molecular formula C71H59Cl5F4N15NaO10 and a molecular weight of 1558.59 g/mol. Its IUPAC name is sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide.

Molecular Properties

• Compound Name: sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide
• PubChem CID: 162049050
• Molecular Formula: C71H59Cl5F4N15NaO10
• Molecular Weight: 1558.59 g/mol
• Exact Mass: 1555.28
• IUPAC Name: sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide
• SMILES: C.C.CCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1OCC2.CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1OCC2.Fc1ccc(Cl)cc1-c1nc(Cl)c2c(n1)CCO2.O=C(O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1OCC2.[Na+].[OH-]
• InChI: InChI=1S/C20H16ClFN4O3.C19H15ClFN5O2.C18H12ClFN4O3.C12H7Cl2FN2O.2CH4.Na.H2O/c1-2-28-20(27)13-10-23-7-5-15(13)24-19-17-16(6-8-29-17)25-18(26-19)12-9-11(21)3-4-14(12)22;1-22-19(27)12-9-23-6-4-14(12)24-18-16-15(5-7-28-16)25-17(26-18)11-8-10(20)2-3-13(11)21;19-9-1-2-12(20)10(7-9)16-23-14-4-6-27-15(14)17(24-16)22-13-3-5-21-8-11(13)18(25)26;13-6-1-2-8(15)7(5-6)12-16-9-3-4-18-10(9)11(14)17-12;;;;/h3-5,7,9-10H,2,6,8H2,1H3,(H,23,24,25,26);2-4,6,8-9H,5,7H2,1H3,(H,22,27)(H,23,24,25,26);1-3,5,7-8H,4,6H2,(H,25,26)(H,21,22,23,24);1-2,5H,3-4H2;2*1H4;;1H2/q;;;;;;+1;/p-1
• InChIKey: YYHNLLKYKOTAMC-UHFFFAOYSA-M
• XLogP: 12.89
• TPSA: 337.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1558.59
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide?

The IUPAC name of sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide (CID 162049050) is sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide.

What is the SMILES notation for sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide?

The canonical SMILES for sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide is C.C.CCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1OCC2.CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1OCC2.Fc1ccc(Cl)cc1-c1nc(Cl)c2c(n1)CCO2.O=C(O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1OCC2.[Na+].[OH-].

What is the InChIKey of sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide?

The InChIKey is YYHNLLKYKOTAMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16ClFN4O3.C19H15ClFN5O2.C18H12ClFN4O3.C12H7Cl2FN2O.2CH4.Na.H2O/c1-2-28-20(27)13-10-23-7-5-15(13)24-19-17-16(6-8-29-17)25-18(26-19)12-9-11(21)3-4-14(12)22;1-22-19(27)12-9-23-6-4-14(12)24-18-16-15(5-7-28-16)25-17(26-18)11-8-10(20)2-3-13(11)21;19-9-1-2-12(20)10(7-9)16-23-14-4-6-27-15(14)17(24-16)22-13-3-5-21-8-11(13)18(25)26;13-6-1-2-8(15)7(5-6)12-16-9-3-4-18-10(9)11(14)17-12;;;;/h3-5,7,9-10H,2,6,8H2,1H3,(H,23,24,25,26);2-4,6,8-9H,5,7H2,1H3,(H,22,27)(H,23,24,25,26);1-3,5,7-8H,4,6H2,(H,25,26)(H,21,22,23,24);1-2,5H,3-4H2;2*1H4;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide?

sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide has a molecular weight of 1558.59 g/mol, XLogP of 12.89, 14 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;methane;hydroxide is sourced from PubChem (CID 162049050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).