6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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

C100H120F3N33O11 — CID 159284917

About 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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

6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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 (PubChem CID 159284917) has the molecular formula C100H120F3N33O11 and a molecular weight of 2017.27 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;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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.

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;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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
• PubChem CID: 159284917
• Molecular Formula: C100H120F3N33O11
• Molecular Weight: 2017.27 g/mol
• Exact Mass: 2015.98
• IUPAC Name: 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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
• SMILES: CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)C2(C)CCOC2N3C)cc1.Cc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)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/C23H30N6O3.C21H23F3N6O2.C20H25N7O2.C19H23N7O2.C17H19N7O2/c1-4-24-22(30)25-16-7-5-15(6-8-16)19-26-18-17(20(27-19)29-10-13-31-14-11-29)28(3)21-23(18,2)9-12-32-21;1-12-10-14(21(22,23)24)13(11-25-12)16-27-17(29-4-7-31-8-5-29)15-18(28-16)30-6-9-32-20(2,3)19(30)26-15;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;1-11-18-9-12(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/h5-8,21H,4,9-14H2,1-3H3,(H2,24,25,30);10-11H,4-9H2,1-3H3;11H,5-10H2,1-4H3;10-11H,4-9H2,1-3H3;9-10H,2-8H2,1H3
• InChIKey: KZJSXMTVMGTQQZ-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 443.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 12
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2017.27
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	2
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;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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?

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;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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 (CID 159284917) is 6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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.

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;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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?

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;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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 is CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)C2(C)CCOC2N3C)cc1.Cc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)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;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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?

The InChIKey is KZJSXMTVMGTQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3.C21H23F3N6O2.C20H25N7O2.C19H23N7O2.C17H19N7O2/c1-4-24-22(30)25-16-7-5-15(6-8-16)19-26-18-17(20(27-19)29-10-13-31-14-11-29)28(3)21-23(18,2)9-12-32-21;1-12-10-14(21(22,23)24)13(11-25-12)16-27-17(29-4-7-31-8-5-29)15-18(28-16)30-6-9-32-20(2,3)19(30)26-15;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;1-11-18-9-12(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/h5-8,21H,4,9-14H2,1-3H3,(H2,24,25,30);10-11H,4-9H2,1-3H3;11H,5-10H2,1-4H3;10-11H,4-9H2,1-3H3;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;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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?

6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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 has a molecular weight of 2017.27 g/mol, XLogP of 10.80, 12 rotatable bonds, 2 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;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;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 is sourced from PubChem (CID 159284917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).