5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine

C20H22F3N7O2 — CID 57384865

IUPAC5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nc12
InChIInChI=1S/C20H22F3N7O2/c1-19(2)18-26-14-16(29-3-6-31-7-4-29)27-15(28-17(14)30(18)5-8-32-19)11-10-25-13(24)9-12(11)20(21,22)23/h9-10H,3-8H2,1-2H3,(H2,24,25)
InChIKeyRGKMYAHXXXEWCR-UHFFFAOYSA-N
MW449.44 g/mol
LogP2.59
Rot. Bonds2

About 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine

5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 57384865) has the molecular formula C20H22F3N7O2 and a molecular weight of 449.44 g/mol. Its IUPAC name is 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID57384865
Molecular FormulaC20H22F3N7O2
Molecular Weight449.44 g/mol
Exact Mass449.18
IUPAC Name5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nc12
InChIInChI=1S/C20H22F3N7O2/c1-19(2)18-26-14-16(29-3-6-31-7-4-29)27-15(28-17(14)30(18)5-8-32-19)11-10-25-13(24)9-12(11)20(21,22)23/h9-10H,3-8H2,1-2H3,(H2,24,25)
InChIKeyRGKMYAHXXXEWCR-UHFFFAOYSA-N
XLogP2.59
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 57384865) is 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine is CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nc12.
What is the InChIKey of 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RGKMYAHXXXEWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7O2/c1-19(2)18-26-14-16(29-3-6-31-7-4-29)27-15(28-17(14)30(18)5-8-32-19)11-10-25-13(24)9-12(11)20(21,22)23/h9-10H,3-8H2,1-2H3,(H2,24,25).
What are the key properties of 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 449.44 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 57384865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).