5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine

C68H82BBrClN21O4Si2 — CID 159289037

About 5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine

5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine (PubChem CID 159289037) has the molecular formula C68H82BBrClN21O4Si2 and a molecular weight of 1439.89 g/mol. Its IUPAC name is 5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine
• PubChem CID: 159289037
• Molecular Formula: C68H82BBrClN21O4Si2
• Molecular Weight: 1439.89 g/mol
• Exact Mass: 1437.54
• IUPAC Name: 5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine
• SMILES: CNc1ncc(-c2ccc3c(n2)[nH]c2ccncc23)cn1.CNc1ncc(-c2ccc3c4cnccc4n(COCC[Si](C)(C)C)c3n2)cn1.CNc1ncc(B2OC(C)(C)C(C)(C)O2)cn1.CNc1ncc(Br)cn1.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21
• InChI: InChI=1S/C21H26N6OSi.C16H20ClN3OSi.C15H12N6.C11H18BN3O2.C5H6BrN3/c1-22-21-24-11-15(12-25-21)18-6-5-16-17-13-23-8-7-19(17)27(20(16)26-18)14-28-9-10-29(2,3)4;1-22(2,3)9-8-21-11-20-14-6-7-18-10-13(14)12-4-5-15(17)19-16(12)20;1-16-15-18-6-9(7-19-15)12-3-2-10-11-8-17-5-4-13(11)21-14(10)20-12;1-10(2)11(3,4)17-12(16-10)8-6-14-9(13-5)15-7-8;1-7-5-8-2-4(6)3-9-5/h5-8,11-13H,9-10,14H2,1-4H3,(H,22,24,25);4-7,10H,8-9,11H2,1-3H3;2-8H,1H3,(H,20,21)(H,16,18,19);6-7H,1-5H3,(H,13,14,15);2-3H,1H3,(H,7,8,9)
• InChIKey: KZWKJTXQNXEHAS-UHFFFAOYSA-N
• XLogP: 13.65
• TPSA: 291.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1439.89
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine?

The IUPAC name of 5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine (CID 159289037) is 5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine.

What is the SMILES notation for 5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine?

The canonical SMILES for 5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine is CNc1ncc(-c2ccc3c(n2)[nH]c2ccncc23)cn1.CNc1ncc(-c2ccc3c4cnccc4n(COCC[Si](C)(C)C)c3n2)cn1.CNc1ncc(B2OC(C)(C)C(C)(C)O2)cn1.CNc1ncc(Br)cn1.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.

What is the InChIKey of 5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine?

The InChIKey is KZWKJTXQNXEHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OSi.C16H20ClN3OSi.C15H12N6.C11H18BN3O2.C5H6BrN3/c1-22-21-24-11-15(12-25-21)18-6-5-16-17-13-23-8-7-19(17)27(20(16)26-18)14-28-9-10-29(2,3)4;1-22(2,3)9-8-21-11-20-14-6-7-18-10-13(14)12-4-5-15(17)19-16(12)20;1-16-15-18-6-9(7-19-15)12-3-2-10-11-8-17-5-4-13(11)21-14(10)20-12;1-10(2)11(3,4)17-12(16-10)8-6-14-9(13-5)15-7-8;1-7-5-8-2-4(6)3-9-5/h5-8,11-13H,9-10,14H2,1-4H3,(H,22,24,25);4-7,10H,8-9,11H2,1-3H3;2-8H,1H3,(H,20,21)(H,16,18,19);6-7H,1-5H3,(H,13,14,15);2-3H,1H3,(H,7,8,9).

What are the key properties of 5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine?

5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine has a molecular weight of 1439.89 g/mol, XLogP of 13.65, 17 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-methylpyrimidin-2-amine;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine is sourced from PubChem (CID 159289037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).