6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine

C95H109F6N33O10 — CID 162232487

IUPAC6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine
SMILESCCn1cc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1.Cc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1.Cc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)nc1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCO[C@@H]4C(F)(F)F)cn1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCO[C@H]4C(F)(F)F)cn1
InChIInChI=1S/2C20H24N6O2.C19H25N7O2.2C18H18F3N7O2/c1-13-4-5-14(12-21-13)16-23-17(25-6-9-27-10-7-25)15-18(24-16)26-8-11-28-20(2,3)19(26)22-15;1-13-4-5-14(21-12-13)16-23-17(25-6-9-27-10-7-25)15-18(24-16)26-8-11-28-20(2,3)19(26)22-15;1-4-25-12-13(11-20-25)15-22-16(24-5-8-27-9-6-24)14-17(23-15)26-7-10-28-19(2,3)18(26)21-14;2*1-10-22-8-11(9-23-10)14-25-15(27-2-5-29-6-3-27)12-16(26-14)28-4-7-30-13(17(28)24-12)18(19,20)21/h2*4-5,12H,6-11H2,1-3H3;11-12H,4-10H2,1-3H3;2*8-9,13H,2-7H2,1H3/t;;;2*13-/m...10/s1
InChIKeyZVPQRHIYUQJIIZ-STOPAOTNSA-N
MW1987.13 g/mol
LogP10.53
Rot. Bonds11

About 6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine

6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine (PubChem CID 162232487) has the molecular formula C95H109F6N33O10 and a molecular weight of 1987.13 g/mol. Its IUPAC name is 6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine.

Molecular Properties

Compound Name6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine
PubChem CID162232487
Molecular FormulaC95H109F6N33O10
Molecular Weight1987.13 g/mol
Exact Mass1985.89
IUPAC Name6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine
SMILESCCn1cc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1.Cc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1.Cc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)nc1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCO[C@@H]4C(F)(F)F)cn1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCO[C@H]4C(F)(F)F)cn1
InChIInChI=1S/2C20H24N6O2.C19H25N7O2.2C18H18F3N7O2/c1-13-4-5-14(12-21-13)16-23-17(25-6-9-27-10-7-25)15-18(24-16)26-8-11-28-20(2,3)19(26)22-15;1-13-4-5-14(21-12-13)16-23-17(25-6-9-27-10-7-25)15-18(24-16)26-8-11-28-20(2,3)19(26)22-15;1-4-25-12-13(11-20-25)15-22-16(24-5-8-27-9-6-24)14-17(23-15)26-7-10-28-19(2,3)18(26)21-14;2*1-10-22-8-11(9-23-10)14-25-15(27-2-5-29-6-3-27)12-16(26-14)28-4-7-30-13(17(28)24-12)18(19,20)21/h2*4-5,12H,6-11H2,1-3H3;11-12H,4-10H2,1-3H3;2*8-9,13H,2-7H2,1H3/t;;;2*13-/m...10/s1
InChIKeyZVPQRHIYUQJIIZ-STOPAOTNSA-N
XLogP10.53
TPSA421.66 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds11
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001987.13
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine?
The IUPAC name of 6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine (CID 162232487) is 6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine.
What is the SMILES notation for 6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine?
The canonical SMILES for 6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine is CCn1cc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1.Cc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1.Cc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)nc1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCO[C@@H]4C(F)(F)F)cn1.Cc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCO[C@H]4C(F)(F)F)cn1.
What is the InChIKey of 6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine?
The InChIKey is ZVPQRHIYUQJIIZ-STOPAOTNSA-N. The full InChI is InChI=1S/2C20H24N6O2.C19H25N7O2.2C18H18F3N7O2/c1-13-4-5-14(12-21-13)16-23-17(25-6-9-27-10-7-25)15-18(24-16)26-8-11-28-20(2,3)19(26)22-15;1-13-4-5-14(21-12-13)16-23-17(25-6-9-27-10-7-25)15-18(24-16)26-8-11-28-20(2,3)19(26)22-15;1-4-25-12-13(11-20-25)15-22-16(24-5-8-27-9-6-24)14-17(23-15)26-7-10-28-19(2,3)18(26)21-14;2*1-10-22-8-11(9-23-10)14-25-15(27-2-5-29-6-3-27)12-16(26-14)28-4-7-30-13(17(28)24-12)18(19,20)21/h2*4-5,12H,6-11H2,1-3H3;11-12H,4-10H2,1-3H3;2*8-9,13H,2-7H2,1H3/t;;;2*13-/m...10/s1.
What are the key properties of 6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine?
6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine has a molecular weight of 1987.13 g/mol, XLogP of 10.53, 11 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(1-ethylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine is sourced from PubChem (CID 162232487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).