(5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane

C96H129BBr4Cl10N30O11 — CID 163564614

About (5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane

(5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane (PubChem CID 163564614) has the molecular formula C96H129BBr4Cl10N30O11 and a molecular weight of 2564.24 g/mol. Its IUPAC name is (5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane.

Molecular Properties

• Compound Name: (5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane
• PubChem CID: 163564614
• Molecular Formula: C96H129BBr4Cl10N30O11
• Molecular Weight: 2564.24 g/mol
• Exact Mass: 2554.42
• IUPAC Name: (5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane
• SMILES: C.CCO.CO.COC(OC)OC.C[C@@H]1OCC2(CCNCC2)[C@@H]1N.Cc1nc(Cl)n2cnnc2c1Br.Cc1nc(Cl)nc(Cl)c1Br.Cc1nc(Cl)nc(NN)c1Br.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cnnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cnnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cnnc2c1Br.OB(O)c1cccc(Cl)c1Cl
• InChI: InChI=1S/2C21H24Cl2N6O.C15H21BrN6O.C9H18N2O.C6H5BCl2O2.C6H4BrClN4.C5H3BrCl2N2.C5H6BrClN4.C4H10O3.C2H6O.CH4O.CH4/c2*1-12-16(14-4-3-5-15(22)17(14)23)19-27-25-11-29(19)20(26-12)28-8-6-21(7-9-28)10-30-13(2)18(21)24;1-9-11(16)13-20-18-8-22(13)14(19-9)21-5-3-15(4-6-21)7-23-10(2)12(15)17;1-7-8(10)9(6-12-7)2-4-11-5-3-9;8-5-3-1-2-4(6(5)9)7(10)11;1-3-4(7)5-11-9-2-12(5)6(8)10-3;1-2-3(6)4(7)10-5(8)9-2;1-2-3(6)4(11-8)10-5(7)9-2;1-5-4(6-2)7-3;1-2-3;1-2;/h2*3-5,11,13,18H,6-10,24H2,1-2H3;8,10,12H,3-7,17H2,1-2H3;7-8,11H,2-6,10H2,1H3;1-3,10-11H;2H,1H3;1H3;8H2,1H3,(H,9,10,11);4H,1-3H3;3H,2H2,1H3;2H,1H3;1H4/t2*13-,18+;10-,12+;7-,8+;;;;;;;;/m0000......../s1
• InChIKey: FUDLPONDWOWLNO-ZHBQSJCYSA-N
• XLogP: 16.42
• TPSA: 533.29 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 10
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2564.24
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane?

The IUPAC name of (5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane (CID 163564614) is (5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane.

What is the SMILES notation for (5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane?

The canonical SMILES for (5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane is C.CCO.CO.COC(OC)OC.C[C@@H]1OCC2(CCNCC2)[C@@H]1N.Cc1nc(Cl)n2cnnc2c1Br.Cc1nc(Cl)nc(Cl)c1Br.Cc1nc(Cl)nc(NN)c1Br.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cnnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cnnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cnnc2c1Br.OB(O)c1cccc(Cl)c1Cl.

What is the InChIKey of (5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane?

The InChIKey is FUDLPONDWOWLNO-ZHBQSJCYSA-N. The full InChI is InChI=1S/2C21H24Cl2N6O.C15H21BrN6O.C9H18N2O.C6H5BCl2O2.C6H4BrClN4.C5H3BrCl2N2.C5H6BrClN4.C4H10O3.C2H6O.CH4O.CH4/c2*1-12-16(14-4-3-5-15(22)17(14)23)19-27-25-11-29(19)20(26-12)28-8-6-21(7-9-28)10-30-13(2)18(21)24;1-9-11(16)13-20-18-8-22(13)14(19-9)21-5-3-15(4-6-21)7-23-10(2)12(15)17;1-7-8(10)9(6-12-7)2-4-11-5-3-9;8-5-3-1-2-4(6(5)9)7(10)11;1-3-4(7)5-11-9-2-12(5)6(8)10-3;1-2-3(6)4(7)10-5(8)9-2;1-2-3(6)4(11-8)10-5(7)9-2;1-5-4(6-2)7-3;1-2-3;1-2;/h2*3-5,11,13,18H,6-10,24H2,1-2H3;8,10,12H,3-7,17H2,1-2H3;7-8,11H,2-6,10H2,1H3;1-3,10-11H;2H,1H3;1H3;8H2,1H3,(H,9,10,11);4H,1-3H3;3H,2H2,1H3;2H,1H3;1H4/t2*13-,18+;10-,12+;7-,8+;;;;;;;;/m0000......../s1.

What are the key properties of (5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane?

(5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane has a molecular weight of 2564.24 g/mol, XLogP of 16.42, 10 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromo-2-chloro-6-methylpyrimidin-4-yl)hydrazine;8-bromo-5-chloro-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;5-bromo-2,4-dichloro-6-methylpyrimidine;(3S,4S)-8-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2,3-dichlorophenyl)boronic acid;bis((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);ethanol;methane;methanol;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;trimethoxymethane is sourced from PubChem (CID 163564614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).