6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine

C96H113F3N34O8 — CID 158585604

About 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine

6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine (PubChem CID 158585604) has the molecular formula C96H113F3N34O8 and a molecular weight of 1928.18 g/mol. Its IUPAC name is 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine.

Molecular Properties

• Compound Name: 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine
• PubChem CID: 158585604
• Molecular Formula: C96H113F3N34O8
• Molecular Weight: 1928.18 g/mol
• Exact Mass: 1926.94
• IUPAC Name: 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine
• SMILES: Cc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCCC4(C)C)cn1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCCC4)cn1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCCO4)cn1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)c(C)n1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1
• InChI: InChI=1S/C22H25F3N6O.C20H25N7O2.C19H23N7O2.C18H21N7O.C17H19N7O2/c1-13-11-15(22(23,24)25)14(12-26-13)17-28-18(30-7-9-32-10-8-30)16-19(29-17)31-6-4-5-21(2,3)20(31)27-16;1-12-14(11-21-13(2)22-12)16-24-17(26-5-8-28-9-6-26)15-18(25-16)27-7-10-29-20(3,4)19(27)23-15;1-12-20-10-13(11-21-12)15-23-16(25-4-7-27-8-5-25)14-17(24-15)26-6-9-28-19(2,3)18(26)22-14;1-12-19-10-13(11-20-12)16-22-17(24-6-8-26-9-7-24)15-18(23-16)25-5-3-2-4-14(25)21-15;1-11-18-9-12(10-19-11)14-21-15(23-4-7-25-8-5-23)13-16(22-14)24-3-2-6-26-17(24)20-13/h11-12H,4-10H2,1-3H3;11H,5-10H2,1-4H3;10-11H,4-9H2,1-3H3;10-11H,2-9H2,1H3;9-10H,2-8H2,1H3
• InChIKey: HTUBVQUYERKBAU-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 424.05 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 10
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1928.18
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine?

The IUPAC name of 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine (CID 158585604) is 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine.

What is the SMILES notation for 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine?

The canonical SMILES for 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine is Cc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCCC4(C)C)cn1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCCC4)cn1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCCO4)cn1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)c(C)n1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1.

What is the InChIKey of 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine?

The InChIKey is HTUBVQUYERKBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O.C20H25N7O2.C19H23N7O2.C18H21N7O.C17H19N7O2/c1-13-11-15(22(23,24)25)14(12-26-13)17-28-18(30-7-9-32-10-8-30)16-19(29-17)31-6-4-5-21(2,3)20(31)27-16;1-12-14(11-21-13(2)22-12)16-24-17(26-5-8-28-9-6-26)15-18(25-16)27-7-10-29-20(3,4)19(27)23-15;1-12-20-10-13(11-21-12)15-23-16(25-4-7-27-8-5-25)14-17(24-15)26-6-9-28-19(2,3)18(26)22-14;1-12-19-10-13(11-20-12)16-22-17(24-6-8-26-9-7-24)15-18(23-16)25-5-3-2-4-14(25)21-15;1-11-18-9-12(10-19-11)14-21-15(23-4-7-25-8-5-23)13-16(22-14)24-3-2-6-26-17(24)20-13/h11-12H,4-10H2,1-3H3;11H,5-10H2,1-4H3;10-11H,4-9H2,1-3H3;10-11H,2-9H2,1H3;9-10H,2-8H2,1H3.

What are the key properties of 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine?

6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine has a molecular weight of 1928.18 g/mol, XLogP of 10.79, 10 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-8,9-dihydro-7H-purino[9,8-a]pyridin-4-yl]morpholine;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine is sourced from PubChem (CID 158585604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).