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

C14H19F3N4O2 — CID 134072836

IUPAC8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCN1CCOCC2(C1)CN(c1nccc(C(F)(F)F)n1)CCO2
InChIInChI=1S/C14H19F3N4O2/c1-20-4-6-22-10-13(8-20)9-21(5-7-23-13)12-18-3-2-11(19-12)14(15,16)17/h2-3H,4-10H2,1H3
InChIKeyMPQWRDWSKCDMHC-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.03
Rot. Bonds1

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

8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 134072836) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID134072836
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCN1CCOCC2(C1)CN(c1nccc(C(F)(F)F)n1)CCO2
InChIInChI=1S/C14H19F3N4O2/c1-20-4-6-22-10-13(8-20)9-21(5-7-23-13)12-18-3-2-11(19-12)14(15,16)17/h2-3H,4-10H2,1H3
InChIKeyMPQWRDWSKCDMHC-UHFFFAOYSA-N
XLogP1.03
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 134072836) is 8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is CN1CCOCC2(C1)CN(c1nccc(C(F)(F)F)n1)CCO2.
What is the InChIKey of 8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is MPQWRDWSKCDMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-20-4-6-22-10-13(8-20)9-21(5-7-23-13)12-18-3-2-11(19-12)14(15,16)17/h2-3H,4-10H2,1H3.
What are the key properties of 8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 332.33 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 134072836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).