5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine

C22H26N8O — CID 167028470

IUPAC5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
SMILESCC1(C)OCCn2c1nc1c(N3CC4CCC3C3CC43)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C22H26N8O/c1-22(2)20-26-16-18(29(20)5-6-31-22)27-17(12-8-24-21(23)25-9-12)28-19(16)30-10-11-3-4-15(30)14-7-13(11)14/h8-9,11,13-15H,3-7,10H2,1-2H3,(H2,23,24,25)
InChIKeyUXTAGEYYYWUVNP-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.37
Rot. Bonds2

About 5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine

5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine (PubChem CID 167028470) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
PubChem CID167028470
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
SMILESCC1(C)OCCn2c1nc1c(N3CC4CCC3C3CC43)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C22H26N8O/c1-22(2)20-26-16-18(29(20)5-6-31-22)27-17(12-8-24-21(23)25-9-12)28-19(16)30-10-11-3-4-15(30)14-7-13(11)14/h8-9,11,13-15H,3-7,10H2,1-2H3,(H2,23,24,25)
InChIKeyUXTAGEYYYWUVNP-UHFFFAOYSA-N
XLogP2.37
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine with MolForge

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Related Compounds

5-[4-(2-azabicyclo[3.1.0]hexan-2-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 122536061
5-[4-[(5S)-5-fluoro-2-azabicyclo[2.2.1]heptan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 122517644
5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 122536100
5-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl]pyrimidin-2-amine
CID 122517564
5-[4-(6,6-difluoro-3-azabicyclo[3.2.0]heptan-3-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 122536071
5-[4-(2-ethyl-4-fluoro-5-methylpiperidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 167028510
5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine
CID 122517558
5-[4-(2-azabicyclo[3.1.0]hexan-2-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-N-methylpyrimidin-2-amine
CID 167028550
5-[4-[(3aS,6aS)-4-ethyl-4-fluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 167028507
2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-N-ethyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine
CID 122536010
5-[(6R)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine;5-[4-[(5R)-5-fluoro-2-azabicyclo[2.2.1]heptan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 159360243
2-(2-aminopyrimidin-5-yl)-N-cyclobutyl-N-ethyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine
CID 122536008

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine (CID 167028470) is 5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine is CC1(C)OCCn2c1nc1c(N3CC4CCC3C3CC43)nc(-c3cnc(N)nc3)nc12.
What is the InChIKey of 5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The InChIKey is UXTAGEYYYWUVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-22(2)20-26-16-18(29(20)5-6-31-22)27-17(12-8-24-21(23)25-9-12)28-19(16)30-10-11-3-4-15(30)14-7-13(11)14/h8-9,11,13-15H,3-7,10H2,1-2H3,(H2,23,24,25).
What are the key properties of 5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine has a molecular weight of 418.51 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 167028470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).