9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane

C15H21F3N4 — CID 97393770

IUPAC9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CCCN(c3nccc(C(F)(F)F)n3)C2)CC1
InChIInChI=1S/C15H21F3N4/c1-21-9-5-14(6-10-21)4-2-8-22(11-14)13-19-7-3-12(20-13)15(16,17)18/h3,7H,2,4-6,8-11H2,1H3
InChIKeyKUEQBGKYSYNFTF-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.81
Rot. Bonds1

About 9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane

9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane (PubChem CID 97393770) has the molecular formula C15H21F3N4 and a molecular weight of 314.35 g/mol. Its IUPAC name is 9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane
PubChem CID97393770
Molecular FormulaC15H21F3N4
Molecular Weight314.35 g/mol
Exact Mass314.17
IUPAC Name9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CCCN(c3nccc(C(F)(F)F)n3)C2)CC1
InChIInChI=1S/C15H21F3N4/c1-21-9-5-14(6-10-21)4-2-8-22(11-14)13-19-7-3-12(20-13)15(16,17)18/h3,7H,2,4-6,8-11H2,1H3
InChIKeyKUEQBGKYSYNFTF-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane (CID 97393770) is 9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane is CN1CCC2(CCCN(c3nccc(C(F)(F)F)n3)C2)CC1.
What is the InChIKey of 9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane?
The InChIKey is KUEQBGKYSYNFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4/c1-21-9-5-14(6-10-21)4-2-8-22(11-14)13-19-7-3-12(20-13)15(16,17)18/h3,7H,2,4-6,8-11H2,1H3.
What are the key properties of 9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane?
9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane has a molecular weight of 314.35 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97393770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).