sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide

C110H115Br2Cl6FN27NaO24 — CID 158393572

IUPACsodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide
SMILESC.CC(C)(C)OC(=O)Nc1cc(N)ncn1.CCOC(=O)c1[nH]c(=O)c(Br)cc1Cl.CCOC(=O)c1c(Cl)cc(Br)c(=O)n1Cc1ccc(OC)cc1.CCOC(=O)c1c(Cl)cc(Nc2cc(C)ncn2)c(=O)n1Cc1ccc(OC)cc1.COc1ccc(CNC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n2Cc2ccc(OC)cc2)cc1.COc1ccc(Cn2c(C(=O)O)c(Cl)cc(Nc3cc(N)ncn3)c2=O)cc1.NC(=O)c1[nH]c(=O)c(Nc2cc(N)ncn2)cc1Cl.[2H]CF.[Na+].[OH-]
InChIInChI=1S/C26H25ClN6O4.C21H21ClN4O4.C18H16ClN5O4.C16H15BrClNO4.C10H9ClN6O2.C9H14N4O2.C8H7BrClNO3.CH3F.CH4.Na.H2O/c1-36-18-7-3-16(4-8-18)13-29-25(34)24-20(27)11-21(32-23-12-22(28)30-15-31-23)26(35)33(24)14-17-5-9-19(37-2)10-6-17;1-4-30-21(28)19-16(22)10-17(25-18-9-13(2)23-12-24-18)20(27)26(19)11-14-5-7-15(29-3)8-6-14;1-28-11-4-2-10(3-5-11)8-24-16(18(26)27)12(19)6-13(17(24)25)23-15-7-14(20)21-9-22-15;1-3-23-16(21)14-13(18)8-12(17)15(20)19(14)9-10-4-6-11(22-2)7-5-10;11-4-1-5(10(19)17-8(4)9(13)18)16-7-2-6(12)14-3-15-7;1-9(2,3)15-8(14)13-7-4-6(10)11-5-12-7;1-2-14-8(13)6-5(10)3-4(9)7(12)11-6;1-2;;;/h3-12,15H,13-14H2,1-2H3,(H,29,34)(H3,28,30,31,32);5-10,12H,4,11H2,1-3H3,(H,23,24,25);2-7,9H,8H2,1H3,(H,26,27)(H3,20,21,22,23);4-8H,3,9H2,1-2H3;1-3H,(H2,13,18)(H,17,19)(H3,12,14,15,16);4-5H,1-3H3,(H3,10,11,12,13,14);3H,2H2,1H3,(H,11,12);1H3;1H4;;1H2/q;;;;;;;;;+1;/p-1/i;;;;;;;1D;;;
InChIKeyGXGPMKNJMMDRJI-MXDNDXKOSA-M
MW2614.82 g/mol
LogP14.73
Rot. Bonds33

About sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide

sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide (PubChem CID 158393572) has the molecular formula C110H115Br2Cl6FN27NaO24 and a molecular weight of 2614.82 g/mol. Its IUPAC name is sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide.

Molecular Properties

Compound Namesodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide
PubChem CID158393572
Molecular FormulaC110H115Br2Cl6FN27NaO24
Molecular Weight2614.82 g/mol
Exact Mass2608.51
IUPAC Namesodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide
SMILESC.CC(C)(C)OC(=O)Nc1cc(N)ncn1.CCOC(=O)c1[nH]c(=O)c(Br)cc1Cl.CCOC(=O)c1c(Cl)cc(Br)c(=O)n1Cc1ccc(OC)cc1.CCOC(=O)c1c(Cl)cc(Nc2cc(C)ncn2)c(=O)n1Cc1ccc(OC)cc1.COc1ccc(CNC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n2Cc2ccc(OC)cc2)cc1.COc1ccc(Cn2c(C(=O)O)c(Cl)cc(Nc3cc(N)ncn3)c2=O)cc1.NC(=O)c1[nH]c(=O)c(Nc2cc(N)ncn2)cc1Cl.[2H]CF.[Na+].[OH-]
InChIInChI=1S/C26H25ClN6O4.C21H21ClN4O4.C18H16ClN5O4.C16H15BrClNO4.C10H9ClN6O2.C9H14N4O2.C8H7BrClNO3.CH3F.CH4.Na.H2O/c1-36-18-7-3-16(4-8-18)13-29-25(34)24-20(27)11-21(32-23-12-22(28)30-15-31-23)26(35)33(24)14-17-5-9-19(37-2)10-6-17;1-4-30-21(28)19-16(22)10-17(25-18-9-13(2)23-12-24-18)20(27)26(19)11-14-5-7-15(29-3)8-6-14;1-28-11-4-2-10(3-5-11)8-24-16(18(26)27)12(19)6-13(17(24)25)23-15-7-14(20)21-9-22-15;1-3-23-16(21)14-13(18)8-12(17)15(20)19(14)9-10-4-6-11(22-2)7-5-10;11-4-1-5(10(19)17-8(4)9(13)18)16-7-2-6(12)14-3-15-7;1-9(2,3)15-8(14)13-7-4-6(10)11-5-12-7;1-2-14-8(13)6-5(10)3-4(9)7(12)11-6;1-2;;;/h3-12,15H,13-14H2,1-2H3,(H,29,34)(H3,28,30,31,32);5-10,12H,4,11H2,1-3H3,(H,23,24,25);2-7,9H,8H2,1H3,(H,26,27)(H3,20,21,22,23);4-8H,3,9H2,1-2H3;1-3H,(H2,13,18)(H,17,19)(H3,12,14,15,16);4-5H,1-3H3,(H3,10,11,12,13,14);3H,2H2,1H3,(H,11,12);1H3;1H4;;1H2/q;;;;;;;;;+1;/p-1/i;;;;;;;1D;;;
InChIKeyGXGPMKNJMMDRJI-MXDNDXKOSA-M
XLogP14.73
TPSA737.69 Ų
H-Bond Donors14
H-Bond Acceptors45
Rotatable Bonds33
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002614.82
LogP ≤ 514.73
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane
CID 160921212
6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride
CID 159853680
5-bromo-3-chloro-1-ethyl-6-oxo-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 139387089
ethyl 5-benzamido-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-2-carboxylate
CID 102333626
ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112860310
N-(6-aminopyrimidin-4-yl)acetamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-acetamidopyrimidin-4-yl)carbamate;tert-butyl N-(6-chloropyrimidin-4-yl)carbamate;6-chloropyrimidin-4-amine;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]acetamide;bis(N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]acetamide);oxolane;hydrochloride
CID 157074141
methyl 4-chloro-3-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112860294
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171227
ethyl 7-(2-methoxy-3-pyridinyl)-5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]pyrrolo[2,3-f][1,3]benzothiazole-6-carboxylate;7-(2-methoxy-3-pyridinyl)-5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]pyrrolo[2,3-f][1,3]benzothiazole-6-carboxylic acid
CID 158307862
6-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349236
N-benzyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-phenyl-5H-pyrido[4,3-b]indole-1-carboxamide
CID 175532079

Frequently Asked Questions

What is the IUPAC name of sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide?
The IUPAC name of sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide (CID 158393572) is sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide.
What is the SMILES notation for sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide?
The canonical SMILES for sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide is C.CC(C)(C)OC(=O)Nc1cc(N)ncn1.CCOC(=O)c1[nH]c(=O)c(Br)cc1Cl.CCOC(=O)c1c(Cl)cc(Br)c(=O)n1Cc1ccc(OC)cc1.CCOC(=O)c1c(Cl)cc(Nc2cc(C)ncn2)c(=O)n1Cc1ccc(OC)cc1.COc1ccc(CNC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n2Cc2ccc(OC)cc2)cc1.COc1ccc(Cn2c(C(=O)O)c(Cl)cc(Nc3cc(N)ncn3)c2=O)cc1.NC(=O)c1[nH]c(=O)c(Nc2cc(N)ncn2)cc1Cl.[2H]CF.[Na+].[OH-].
What is the InChIKey of sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide?
The InChIKey is GXGPMKNJMMDRJI-MXDNDXKOSA-M. The full InChI is InChI=1S/C26H25ClN6O4.C21H21ClN4O4.C18H16ClN5O4.C16H15BrClNO4.C10H9ClN6O2.C9H14N4O2.C8H7BrClNO3.CH3F.CH4.Na.H2O/c1-36-18-7-3-16(4-8-18)13-29-25(34)24-20(27)11-21(32-23-12-22(28)30-15-31-23)26(35)33(24)14-17-5-9-19(37-2)10-6-17;1-4-30-21(28)19-16(22)10-17(25-18-9-13(2)23-12-24-18)20(27)26(19)11-14-5-7-15(29-3)8-6-14;1-28-11-4-2-10(3-5-11)8-24-16(18(26)27)12(19)6-13(17(24)25)23-15-7-14(20)21-9-22-15;1-3-23-16(21)14-13(18)8-12(17)15(20)19(14)9-10-4-6-11(22-2)7-5-10;11-4-1-5(10(19)17-8(4)9(13)18)16-7-2-6(12)14-3-15-7;1-9(2,3)15-8(14)13-7-4-6(10)11-5-12-7;1-2-14-8(13)6-5(10)3-4(9)7(12)11-6;1-2;;;/h3-12,15H,13-14H2,1-2H3,(H,29,34)(H3,28,30,31,32);5-10,12H,4,11H2,1-3H3,(H,23,24,25);2-7,9H,8H2,1H3,(H,26,27)(H3,20,21,22,23);4-8H,3,9H2,1-2H3;1-3H,(H2,13,18)(H,17,19)(H3,12,14,15,16);4-5H,1-3H3,(H3,10,11,12,13,14);3H,2H2,1H3,(H,11,12);1H3;1H4;;1H2/q;;;;;;;;;+1;/p-1/i;;;;;;;1D;;;.
What are the key properties of sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide?
sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide has a molecular weight of 2614.82 g/mol, XLogP of 14.73, 33 rotatable bonds, 14 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide is sourced from PubChem (CID 158393572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).