2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride

C102H102BCl12F6N30O12PS2 — CID 160755141

About 2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride

2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride (PubChem CID 160755141) has the molecular formula C102H102BCl12F6N30O12PS2 and a molecular weight of 2585.48 g/mol. Its IUPAC name is 2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride.

Molecular Properties

• Compound Name: 2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride
• PubChem CID: 160755141
• Molecular Formula: C102H102BCl12F6N30O12PS2
• Molecular Weight: 2585.48 g/mol
• Exact Mass: 2578.37
• IUPAC Name: 2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride
• SMILES: C1COCCN1.CSc1nc(Cl)cc2nccn12.CSc1nc(N)cc(Cl)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2nccn2c(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc2nccn2c(Cl)n1.Clc1cc2nccn2c(N2CCOCC2)n1.Clc1cc2nccn2c(N2CCOCC2)n1.O=CCCl.O=P(Cl)(Cl)Cl.O=c1[nH]c(Cl)cc2nccn12.O=c1[nH]c(Cl)cc2nccn12
• InChI: InChI=1S/C25H22F3N5O2.C21H23BF3NO3.2C10H11ClN4O.C7H6ClN3S.C6H3Cl2N3.2C6H4ClN3O.C5H6ClN3S.C4H9NO.C2H3ClO.Cl3OP/c1-16-5-6-19(30-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22-29-7-8-33(22)24(31-21)32-9-11-35-12-10-32;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*11-8-7-9-12-1-2-15(9)10(13-8)14-3-5-16-6-4-14;1-12-7-10-5(8)4-6-9-2-3-11(6)7;7-4-3-5-9-1-2-11(5)6(8)10-4;2*7-4-3-5-8-1-2-10(5)6(11)9-4;1-10-5-8-3(6)2-4(7)9-5;1-3-6-4-2-5-1;3-1-2-4;1-5(2,3)4/h2-8,13-15H,9-12H2,1H3,(H,30,34);6-12H,1-5H3,(H,26,27);2*1-2,7H,3-6H2;2-4H,1H3;1-3H;2*1-3H,(H,9,11);2H,1H3,(H2,7,8,9);5H,1-4H2;2H,1H2
• InChIKey: RXIFLXSTBUGAFW-UHFFFAOYSA-N
• XLogP: 21.58
• TPSA: 472.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 12
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2585.48
LogP ≤ 5	21.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride?

The IUPAC name of 2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride (CID 160755141) is 2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride.

What is the SMILES notation for 2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride?

The canonical SMILES for 2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride is C1COCCN1.CSc1nc(Cl)cc2nccn12.CSc1nc(N)cc(Cl)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2nccn2c(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc2nccn2c(Cl)n1.Clc1cc2nccn2c(N2CCOCC2)n1.Clc1cc2nccn2c(N2CCOCC2)n1.O=CCCl.O=P(Cl)(Cl)Cl.O=c1[nH]c(Cl)cc2nccn12.O=c1[nH]c(Cl)cc2nccn12.

What is the InChIKey of 2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride?

The InChIKey is RXIFLXSTBUGAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2.C21H23BF3NO3.2C10H11ClN4O.C7H6ClN3S.C6H3Cl2N3.2C6H4ClN3O.C5H6ClN3S.C4H9NO.C2H3ClO.Cl3OP/c1-16-5-6-19(30-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22-29-7-8-33(22)24(31-21)32-9-11-35-12-10-32;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*11-8-7-9-12-1-2-15(9)10(13-8)14-3-5-16-6-4-14;1-12-7-10-5(8)4-6-9-2-3-11(6)7;7-4-3-5-9-1-2-11(5)6(8)10-4;2*7-4-3-5-8-1-2-10(5)6(11)9-4;1-10-5-8-3(6)2-4(7)9-5;1-3-6-4-2-5-1;3-1-2-4;1-5(2,3)4/h2-8,13-15H,9-12H2,1H3,(H,30,34);6-12H,1-5H3,(H,26,27);2*1-2,7H,3-6H2;2-4H,1H3;1-3H;2*1-3H,(H,9,11);2H,1H3,(H2,7,8,9);5H,1-4H2;2H,1H2;.

What are the key properties of 2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride?

2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride has a molecular weight of 2585.48 g/mol, XLogP of 21.58, 12 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloroacetaldehyde;bis(7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one);bis(4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)morpholine);7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine;6-chloro-2-methylsulfanylpyrimidin-4-amine;5,7-dichloroimidazo[1,2-c]pyrimidine;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine;phosphoryl trichloride is sourced from PubChem (CID 160755141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).