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-(2,4-dimethyl-1H-pyrrol-3-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

C96H110F6N32O10 — CID 159328215

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-(2,4-dimethyl-1H-pyrrol-3-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
SMILESCc1c[nH]c(C)c1-c1nc(N2CCOCC2)c2nc3n(c2n1)CCOC3(C)C.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/C20H26N6O2.2C20H24N6O2.2C18H18F3N7O2/c1-12-11-21-13(2)14(12)16-23-17(25-5-8-27-9-6-25)15-18(24-16)26-7-10-28-20(3,4)19(26)22-15;1-13-4-5-14(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;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/h11,21H,5-10H2,1-4H3;2*4-5,12H,6-11H2,1-3H3;2*8-9,13H,2-7H2,1H3/t;;;2*13-/m...10/s1
InChIKeyLEQIMTPFZDPBGH-STOPAOTNSA-N
MW1986.14 g/mol
LogP11.26
Rot. Bonds10

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-(2,4-dimethyl-1H-pyrrol-3-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-(2,4-dimethyl-1H-pyrrol-3-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 159328215) has the molecular formula C96H110F6N32O10 and a molecular weight of 1986.14 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-(2,4-dimethyl-1H-pyrrol-3-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-(2,4-dimethyl-1H-pyrrol-3-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 CID159328215
Molecular FormulaC96H110F6N32O10
Molecular Weight1986.14 g/mol
Exact Mass1984.90
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-(2,4-dimethyl-1H-pyrrol-3-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
SMILESCc1c[nH]c(C)c1-c1nc(N2CCOCC2)c2nc3n(c2n1)CCOC3(C)C.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/C20H26N6O2.2C20H24N6O2.2C18H18F3N7O2/c1-12-11-21-13(2)14(12)16-23-17(25-5-8-27-9-6-25)15-18(24-16)26-7-10-28-20(3,4)19(26)22-15;1-13-4-5-14(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;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/h11,21H,5-10H2,1-4H3;2*4-5,12H,6-11H2,1-3H3;2*8-9,13H,2-7H2,1H3/t;;;2*13-/m...10/s1
InChIKeyLEQIMTPFZDPBGH-STOPAOTNSA-N
XLogP11.26
TPSA419.63 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds10
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001986.14
LogP ≤ 511.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

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-(2,4-dimethyl-1H-pyrrol-3-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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Launch Full Analysis

Related Compounds

(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-purin-6-yl]morpholine
CID 60148746
(3S)-4-[2-(4,4-difluoropiperidin-1-yl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-purin-6-yl]-3-methylmorpholine
CID 68198075
(3S)-3-methyl-4-[2-morpholin-4-yl-8-(1H-pyrrolo[3,2-b]pyridin-6-yl)-7H-purin-6-yl]morpholine
CID 68198078
US10131675, Example 75
CID 122536146
US10131675, Example 74
CID 122536155
US10131675, Example 45
CID 122536169
US10131675, Example 111
CID 122517554
US10131675, Example 23
CID 122536020
US10131675, Example 3
CID 122536094
US10131675, Example 34
CID 122536097
US10131675, Example 146
CID 122536178
US10131675, Example 147
CID 132266662

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-(2,4-dimethyl-1H-pyrrol-3-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-(2,4-dimethyl-1H-pyrrol-3-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 159328215) 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-(2,4-dimethyl-1H-pyrrol-3-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-(2,4-dimethyl-1H-pyrrol-3-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-(2,4-dimethyl-1H-pyrrol-3-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 Cc1c[nH]c(C)c1-c1nc(N2CCOCC2)c2nc3n(c2n1)CCOC3(C)C.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-(2,4-dimethyl-1H-pyrrol-3-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 LEQIMTPFZDPBGH-STOPAOTNSA-N. The full InChI is InChI=1S/C20H26N6O2.2C20H24N6O2.2C18H18F3N7O2/c1-12-11-21-13(2)14(12)16-23-17(25-5-8-27-9-6-25)15-18(24-16)26-7-10-28-20(3,4)19(26)22-15;1-13-4-5-14(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;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/h11,21H,5-10H2,1-4H3;2*4-5,12H,6-11H2,1-3H3;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-(2,4-dimethyl-1H-pyrrol-3-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-(2,4-dimethyl-1H-pyrrol-3-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 1986.14 g/mol, XLogP of 11.26, 10 rotatable bonds, 1 hydrogen bond donors, and 41 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-(2,4-dimethyl-1H-pyrrol-3-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 159328215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).