2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate

C59H68Br3N15O9 — CID 158060703

About 2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate

2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate (PubChem CID 158060703) has the molecular formula C59H68Br3N15O9 and a molecular weight of 1371.00 g/mol. Its IUPAC name is 2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate.

Molecular Properties

• Compound Name: 2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate
• PubChem CID: 158060703
• Molecular Formula: C59H68Br3N15O9
• Molecular Weight: 1371.00 g/mol
• Exact Mass: 1367.29
• IUPAC Name: 2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate
• SMILES: CC(=O)OCc1c(-c2cc(Nc3ccnc(C(C)(C)O)n3)c(=O)n(C)c2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O.CC(C)(O)c1nccc(N)n1.Cn1cc(Br)cc(Br)c1=O.Cn1cc(Br)cc(Nc2ccnc(C(C)(C)O)n2)c1=O
• InChI: InChI=1S/C33H37N7O5.C13H15BrN4O2.C7H11N3O.C6H5Br2NO/c1-19(41)45-18-23-22(21-13-24(29(42)38(6)17-21)36-27-8-10-35-31(37-27)33(4,5)44)7-9-34-28(23)40-12-11-39-25(30(40)43)14-20-15-32(2,3)16-26(20)39;1-13(2,20)12-15-5-4-10(17-12)16-9-6-8(14)7-18(3)11(9)19;1-7(2,11)6-9-4-3-5(8)10-6;1-9-3-4(7)2-5(8)6(9)10/h7-10,13-14,17,44H,11-12,15-16,18H2,1-6H3,(H,35,36,37);4-7,20H,1-3H3,(H,15,16,17);3-4,11H,1-2H3,(H2,8,9,10);2-3H,1H3
• InChIKey: FKPHUHHXZFVHSZ-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 318.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1371.00
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate?

The IUPAC name of 2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate (CID 158060703) is 2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate.

What is the SMILES notation for 2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate?

The canonical SMILES for 2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate is CC(=O)OCc1c(-c2cc(Nc3ccnc(C(C)(C)O)n3)c(=O)n(C)c2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O.CC(C)(O)c1nccc(N)n1.Cn1cc(Br)cc(Br)c1=O.Cn1cc(Br)cc(Nc2ccnc(C(C)(C)O)n2)c1=O.

What is the InChIKey of 2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate?

The InChIKey is FKPHUHHXZFVHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N7O5.C13H15BrN4O2.C7H11N3O.C6H5Br2NO/c1-19(41)45-18-23-22(21-13-24(29(42)38(6)17-21)36-27-8-10-35-31(37-27)33(4,5)44)7-9-34-28(23)40-12-11-39-25(30(40)43)14-20-15-32(2,3)16-26(20)39;1-13(2,20)12-15-5-4-10(17-12)16-9-6-8(14)7-18(3)11(9)19;1-7(2,11)6-9-4-3-5(8)10-6;1-9-3-4(7)2-5(8)6(9)10/h7-10,13-14,17,44H,11-12,15-16,18H2,1-6H3,(H,35,36,37);4-7,20H,1-3H3,(H,15,16,17);3-4,11H,1-2H3,(H2,8,9,10);2-3H,1H3.

What are the key properties of 2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate?

2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate has a molecular weight of 1371.00 g/mol, XLogP of 7.96, 11 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminopyrimidin-2-yl)propan-2-ol;5-bromo-3-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methylpyridin-2-one;3,5-dibromo-1-methylpyridin-2-one;[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate is sourced from PubChem (CID 158060703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).