4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C15H21F3N4O2 — CID 56882482

IUPAC4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1nc(C(F)(F)F)nc(N2CCOC3(CNCCOC3)C2)c1C
InChIInChI=1S/C15H21F3N4O2/c1-10-11(2)20-13(15(16,17)18)21-12(10)22-4-6-24-14(8-22)7-19-3-5-23-9-14/h19H,3-9H2,1-2H3
InChIKeyIAFMOAFGUONSLC-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.31
Rot. Bonds1

About 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 56882482) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID56882482
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1nc(C(F)(F)F)nc(N2CCOC3(CNCCOC3)C2)c1C
InChIInChI=1S/C15H21F3N4O2/c1-10-11(2)20-13(15(16,17)18)21-12(10)22-4-6-24-14(8-22)7-19-3-5-23-9-14/h19H,3-9H2,1-2H3
InChIKeyIAFMOAFGUONSLC-UHFFFAOYSA-N
XLogP1.31
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 56882482) is 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is Cc1nc(C(F)(F)F)nc(N2CCOC3(CNCCOC3)C2)c1C.
What is the InChIKey of 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is IAFMOAFGUONSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-10-11(2)20-13(15(16,17)18)21-12(10)22-4-6-24-14(8-22)7-19-3-5-23-9-14/h19H,3-9H2,1-2H3.
What are the key properties of 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 346.35 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 56882482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).