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

C20H24N8O — CID 167028550

IUPAC5-[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
SMILESCNc1ncc(-c2nc(N3CCC4CC43)c3nc4n(c3n2)CCOC4(C)C)cn1
InChIInChI=1S/C20H24N8O/c1-20(2)18-24-14-16(27-5-4-11-8-13(11)27)25-15(12-9-22-19(21-3)23-10-12)26-17(14)28(18)6-7-29-20/h9-11,13H,4-8H2,1-3H3,(H,21,22,23)
InChIKeyKDYZTKWQBYKHFS-UHFFFAOYSA-N
MW392.47 g/mol
LogP2.19
Rot. Bonds3

About 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

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 (PubChem CID 167028550) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID167028550
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name5-[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
SMILESCNc1ncc(-c2nc(N3CCC4CC43)c3nc4n(c3n2)CCOC4(C)C)cn1
InChIInChI=1S/C20H24N8O/c1-20(2)18-24-14-16(27-5-4-11-8-13(11)27)25-15(12-9-22-19(21-3)23-10-12)26-17(14)28(18)6-7-29-20/h9-11,13H,4-8H2,1-3H3,(H,21,22,23)
InChIKeyKDYZTKWQBYKHFS-UHFFFAOYSA-N
XLogP2.19
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1ncc(-c2nc(N3CCC4CC43)c3nc4n(c3n2)CCOC4(C)C)cn1.
What is the InChIKey of 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?
The InChIKey is KDYZTKWQBYKHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-20(2)18-24-14-16(27-5-4-11-8-13(11)27)25-15(12-9-22-19(21-3)23-10-12)26-17(14)28(18)6-7-29-20/h9-11,13H,4-8H2,1-3H3,(H,21,22,23).
What are the key properties of 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?
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 has a molecular weight of 392.47 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167028550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).