5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine

C20H24F3N9O — CID 58285297

IUPAC5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C20H24F3N9O/c21-20(22,23)11-30-3-1-14(2-4-30)32-12-27-16-15(13-9-25-18(24)26-10-13)28-19(29-17(16)32)31-5-7-33-8-6-31/h9-10,12,14H,1-8,11H2,(H2,24,25,26)
InChIKeyGINBZHQEZQERJM-UHFFFAOYSA-N
MW463.47 g/mol
LogP1.90
Rot. Bonds4

About 5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine

5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine (PubChem CID 58285297) has the molecular formula C20H24F3N9O and a molecular weight of 463.47 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine
PubChem CID58285297
Molecular FormulaC20H24F3N9O
Molecular Weight463.47 g/mol
Exact Mass463.21
IUPAC Name5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C20H24F3N9O/c21-20(22,23)11-30-3-1-14(2-4-30)32-12-27-16-15(13-9-25-18(24)26-10-13)28-19(29-17(16)32)31-5-7-33-8-6-31/h9-10,12,14H,1-8,11H2,(H2,24,25,26)
InChIKeyGINBZHQEZQERJM-UHFFFAOYSA-N
XLogP1.90
TPSA111.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine (CID 58285297) is 5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of 5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine?
The InChIKey is GINBZHQEZQERJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N9O/c21-20(22,23)11-30-3-1-14(2-4-30)32-12-27-16-15(13-9-25-18(24)26-10-13)28-19(29-17(16)32)31-5-7-33-8-6-31/h9-10,12,14H,1-8,11H2,(H2,24,25,26).
What are the key properties of 5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine?
5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine has a molecular weight of 463.47 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 58285297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).