3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine

C114H130N28O13 — CID 158514206

About 3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine

3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine (PubChem CID 158514206) has the molecular formula C114H130N28O13 and a molecular weight of 2100.48 g/mol. Its IUPAC name is 3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine.

Molecular Properties

• Compound Name: 3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
• PubChem CID: 158514206
• Molecular Formula: C114H130N28O13
• Molecular Weight: 2100.48 g/mol
• Exact Mass: 2099.04
• IUPAC Name: 3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
• SMILES: C#Cc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cc1.CC(=O)c1cncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)c1.CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3ccc(OCc4ccccc4)cc3)nc12.CCC(=O)c1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1.CN(C)c1cccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)c1
• InChI: InChI=1S/C27H29N5O3.C22H26N6O3.C22H28N6O2.C22H23N5O2.C21H24N6O3/c1-27(2)26-28-22-24(31-12-15-33-16-13-31)29-23(30-25(22)32(26)14-17-35-27)20-8-10-21(11-9-20)34-18-19-6-4-3-5-7-19;1-4-16(29)15-6-5-14(13-23-15)18-25-19(27-7-10-30-11-8-27)17-20(26-18)28-9-12-31-22(2,3)21(28)24-17;1-22(2)21-23-17-19(27-8-11-29-12-9-27)24-18(25-20(17)28(21)10-13-30-22)15-6-5-7-16(14-15)26(3)4;1-4-15-5-7-16(8-6-15)18-24-19(26-9-12-28-13-10-26)17-20(25-18)27-11-14-29-22(2,3)21(27)23-17;1-13(28)14-10-15(12-22-11-14)17-24-18(26-4-7-29-8-5-26)16-19(25-17)27-6-9-30-21(2,3)20(27)23-16/h3-11H,12-18H2,1-2H3;5-6,13H,4,7-12H2,1-3H3;5-7,14H,8-13H2,1-4H3;1,5-8H,9-14H2,2-3H3;10-12H,4-9H2,1-3H3
• InChIKey: HLKVHOOWMGIQQG-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 398.89 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 17
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2100.48
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?

The IUPAC name of 3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine (CID 158514206) is 3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine.

What is the SMILES notation for 3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?

The canonical SMILES for 3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine is C#Cc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cc1.CC(=O)c1cncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)c1.CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3ccc(OCc4ccccc4)cc3)nc12.CCC(=O)c1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1.CN(C)c1cccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)c1.

What is the InChIKey of 3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?

The InChIKey is HLKVHOOWMGIQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3.C22H26N6O3.C22H28N6O2.C22H23N5O2.C21H24N6O3/c1-27(2)26-28-22-24(31-12-15-33-16-13-31)29-23(30-25(22)32(26)14-17-35-27)20-8-10-21(11-9-20)34-18-19-6-4-3-5-7-19;1-4-16(29)15-6-5-14(13-23-15)18-25-19(27-7-10-30-11-8-27)17-20(26-18)28-9-12-31-22(2,3)21(28)24-17;1-22(2)21-23-17-19(27-8-11-29-12-9-27)24-18(25-20(17)28(21)10-13-30-22)15-6-5-7-16(14-15)26(3)4;1-4-15-5-7-16(8-6-15)18-24-19(26-9-12-28-13-10-26)17-20(25-18)27-11-14-29-22(2,3)21(27)23-17;1-13(28)14-10-15(12-22-11-14)17-24-18(26-4-7-29-8-5-26)16-19(25-17)27-6-9-30-21(2,3)20(27)23-16/h3-11H,12-18H2,1-2H3;5-6,13H,4,7-12H2,1-3H3;5-7,14H,8-13H2,1-4H3;1,5-8H,9-14H2,2-3H3;10-12H,4-9H2,1-3H3.

What are the key properties of 3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?

3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine has a molecular weight of 2100.48 g/mol, XLogP of 14.19, 17 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-N,N-dimethylaniline;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-pyridinyl]ethanone;1-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]propan-1-one;6,6-dimethyl-4-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(4-ethynylphenyl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine is sourced from PubChem (CID 158514206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).