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

C15H15F3N8O — CID 59333581

IUPAC5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3ncn(CC(F)(F)F)c3n2)cn1
InChIInChI=1S/C15H15F3N8O/c16-15(17,18)7-26-8-22-10-12(25-1-3-27-4-2-25)23-11(24-13(10)26)9-5-20-14(19)21-6-9/h5-6,8H,1-4,7H2,(H2,19,20,21)
InChIKeyNIRBDOGMOXHKJX-UHFFFAOYSA-N
MW380.33 g/mol
LogP1.26
Rot. Bonds3

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

5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine (PubChem CID 59333581) has the molecular formula C15H15F3N8O and a molecular weight of 380.33 g/mol. Its IUPAC name is 5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine
PubChem CID59333581
Molecular FormulaC15H15F3N8O
Molecular Weight380.33 g/mol
Exact Mass380.13
IUPAC Name5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3ncn(CC(F)(F)F)c3n2)cn1
InChIInChI=1S/C15H15F3N8O/c16-15(17,18)7-26-8-22-10-12(25-1-3-27-4-2-25)23-11(24-13(10)26)9-5-20-14(19)21-6-9/h5-6,8H,1-4,7H2,(H2,19,20,21)
InChIKeyNIRBDOGMOXHKJX-UHFFFAOYSA-N
XLogP1.26
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine (CID 59333581) is 5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)c3ncn(CC(F)(F)F)c3n2)cn1.
What is the InChIKey of 5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine?
The InChIKey is NIRBDOGMOXHKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N8O/c16-15(17,18)7-26-8-22-10-12(25-1-3-27-4-2-25)23-11(24-13(10)26)9-5-20-14(19)21-6-9/h5-6,8H,1-4,7H2,(H2,19,20,21).
What are the key properties of 5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine?
5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine has a molecular weight of 380.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 59333581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).