5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane

C157H183AlCl6N18O27S — CID 160980610

IUPAC5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane
SMILESC=C(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C=C(c1ncc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.COC(=O)c1cnc(C(=O)CO)nc1.COC(=O)c1cnc(C(=O)Cl)nc1.COC(=O)c1cnc(C(=O)O)nc1.COC(=O)c1cnc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1.COC(=O)c1cnc(C2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)CC2)nc1.Cc1cc2c(cc1C1(c3ncc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1ccc2c(c1)C(C)(C)CCC2(C)C.Cl[Al](Cl)Cl.O=C(O)c1cnc(C(=O)O)nc1.O=S(Cl)Cl
InChIInChI=1S/C24H30N2O2.2C23H28N2O2.C22H26N2O3.C22H26N2O2.C15H22.C8H8N2O4.C7H5ClN2O3.C7H6N2O4.C6H4N2O4.Al.Cl2OS.3ClH/c1-15-11-18-19(23(4,5)8-7-22(18,2)3)12-17(15)24(9-10-24)21-25-13-16(14-26-21)20(27)28-6;1-14-10-17-18(22(4,5)7-6-21(17,2)3)11-16(14)23(8-9-23)20-24-12-15(13-25-20)19(26)27;1-14-10-18-19(23(5,6)9-8-22(18,3)4)11-17(14)15(2)20-24-12-16(13-25-20)21(26)27-7;1-13-9-16-17(22(4,5)8-7-21(16,2)3)10-15(13)18(25)19-23-11-14(12-24-19)20(26)27-6;1-13-9-17-18(22(5,6)8-7-21(17,3)4)10-16(13)14(2)19-23-11-15(12-24-19)20(25)26;1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3;1-14-8(13)5-2-9-7(10-3-5)6(12)4-11;1-13-7(12)4-2-9-6(5(8)11)10-3-4;1-13-7(12)4-2-8-5(6(10)11)9-3-4;9-5(10)3-1-7-4(6(11)12)8-2-3;;1-4(2)3;;;/h11-14H,7-10H2,1-6H3;10-13H,6-9H2,1-5H3,(H,26,27);10-13H,2,8-9H2,1,3-7H3;9-12H,7-8H2,1-6H3;9-12H,2,7-8H2,1,3-6H3,(H,25,26);6-7,10H,8-9H2,1-5H3;2-3,11H,4H2,1H3;2-3H,1H3;2-3H,1H3,(H,10,11);1-2H,(H,9,10)(H,11,12);;;3*1H/q;;;;;;;;;;+3;;;;/p-3
InChIKeySZLQGUKLLJDNFS-UHFFFAOYSA-K
MW3026.06 g/mol
LogP30.93
Rot. Bonds24

About 5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane

5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane (PubChem CID 160980610) has the molecular formula C157H183AlCl6N18O27S and a molecular weight of 3026.06 g/mol. Its IUPAC name is 5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane.

Molecular Properties

Compound Name5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane
PubChem CID160980610
Molecular FormulaC157H183AlCl6N18O27S
Molecular Weight3026.06 g/mol
Exact Mass3021.12
IUPAC Name5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane
SMILESC=C(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C=C(c1ncc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.COC(=O)c1cnc(C(=O)CO)nc1.COC(=O)c1cnc(C(=O)Cl)nc1.COC(=O)c1cnc(C(=O)O)nc1.COC(=O)c1cnc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1.COC(=O)c1cnc(C2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)CC2)nc1.Cc1cc2c(cc1C1(c3ncc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1ccc2c(c1)C(C)(C)CCC2(C)C.Cl[Al](Cl)Cl.O=C(O)c1cnc(C(=O)O)nc1.O=S(Cl)Cl
InChIInChI=1S/C24H30N2O2.2C23H28N2O2.C22H26N2O3.C22H26N2O2.C15H22.C8H8N2O4.C7H5ClN2O3.C7H6N2O4.C6H4N2O4.Al.Cl2OS.3ClH/c1-15-11-18-19(23(4,5)8-7-22(18,2)3)12-17(15)24(9-10-24)21-25-13-16(14-26-21)20(27)28-6;1-14-10-17-18(22(4,5)7-6-21(17,2)3)11-16(14)23(8-9-23)20-24-12-15(13-25-20)19(26)27;1-14-10-18-19(23(5,6)9-8-22(18,3)4)11-17(14)15(2)20-24-12-16(13-25-20)21(26)27-7;1-13-9-16-17(22(4,5)8-7-21(16,2)3)10-15(13)18(25)19-23-11-14(12-24-19)20(26)27-6;1-13-9-17-18(22(5,6)8-7-21(17,3)4)10-16(13)14(2)19-23-11-15(12-24-19)20(25)26;1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3;1-14-8(13)5-2-9-7(10-3-5)6(12)4-11;1-13-7(12)4-2-9-6(5(8)11)10-3-4;1-13-7(12)4-2-8-5(6(10)11)9-3-4;9-5(10)3-1-7-4(6(11)12)8-2-3;;1-4(2)3;;;/h11-14H,7-10H2,1-6H3;10-13H,6-9H2,1-5H3,(H,26,27);10-13H,2,8-9H2,1,3-7H3;9-12H,7-8H2,1-6H3;9-12H,2,7-8H2,1,3-6H3,(H,25,26);6-7,10H,8-9H2,1-5H3;2-3,11H,4H2,1H3;2-3H,1H3;2-3H,1H3,(H,10,11);1-2H,(H,9,10)(H,11,12);;;3*1H/q;;;;;;;;;;+3;;;;/p-3
InChIKeySZLQGUKLLJDNFS-UHFFFAOYSA-K
XLogP30.93
TPSA664.83 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds24
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003026.06
LogP ≤ 530.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane with MolForge

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Related Compounds

5-Methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane
CID 157276848
Methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 157759499

Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane?
The IUPAC name of 5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane (CID 160980610) is 5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane.
What is the SMILES notation for 5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane?
The canonical SMILES for 5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane is C=C(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C=C(c1ncc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.COC(=O)c1cnc(C(=O)CO)nc1.COC(=O)c1cnc(C(=O)Cl)nc1.COC(=O)c1cnc(C(=O)O)nc1.COC(=O)c1cnc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1.COC(=O)c1cnc(C2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)CC2)nc1.Cc1cc2c(cc1C1(c3ncc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1ccc2c(c1)C(C)(C)CCC2(C)C.Cl[Al](Cl)Cl.O=C(O)c1cnc(C(=O)O)nc1.O=S(Cl)Cl.
What is the InChIKey of 5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane?
The InChIKey is SZLQGUKLLJDNFS-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H30N2O2.2C23H28N2O2.C22H26N2O3.C22H26N2O2.C15H22.C8H8N2O4.C7H5ClN2O3.C7H6N2O4.C6H4N2O4.Al.Cl2OS.3ClH/c1-15-11-18-19(23(4,5)8-7-22(18,2)3)12-17(15)24(9-10-24)21-25-13-16(14-26-21)20(27)28-6;1-14-10-17-18(22(4,5)7-6-21(17,2)3)11-16(14)23(8-9-23)20-24-12-15(13-25-20)19(26)27;1-14-10-18-19(23(5,6)9-8-22(18,3)4)11-17(14)15(2)20-24-12-16(13-25-20)21(26)27-7;1-13-9-16-17(22(4,5)8-7-21(16,2)3)10-15(13)18(25)19-23-11-14(12-24-19)20(26)27-6;1-13-9-17-18(22(5,6)8-7-21(17,3)4)10-16(13)14(2)19-23-11-15(12-24-19)20(25)26;1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3;1-14-8(13)5-2-9-7(10-3-5)6(12)4-11;1-13-7(12)4-2-9-6(5(8)11)10-3-4;1-13-7(12)4-2-8-5(6(10)11)9-3-4;9-5(10)3-1-7-4(6(11)12)8-2-3;;1-4(2)3;;;/h11-14H,7-10H2,1-6H3;10-13H,6-9H2,1-5H3,(H,26,27);10-13H,2,8-9H2,1,3-7H3;9-12H,7-8H2,1-6H3;9-12H,2,7-8H2,1,3-6H3,(H,25,26);6-7,10H,8-9H2,1-5H3;2-3,11H,4H2,1H3;2-3H,1H3;2-3H,1H3,(H,10,11);1-2H,(H,9,10)(H,11,12);;;3*1H/q;;;;;;;;;;+3;;;;/p-3.
What are the key properties of 5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane?
5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane has a molecular weight of 3026.06 g/mol, XLogP of 30.93, 24 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 2-(2-hydroxyacetyl)pyrimidine-5-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane is sourced from PubChem (CID 160980610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).