6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine

C24H25F3N6O — CID 166713273

IUPAC6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccnc(Nc2cc(N3CCC4(CCCCC4)C3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C24H25F3N6O/c25-24(26,27)34-18-6-11-29-19(13-18)30-20-14-21(32-22(31-20)17-5-4-10-28-15-17)33-12-9-23(16-33)7-2-1-3-8-23/h4-6,10-11,13-15H,1-3,7-9,12,16H2,(H,29,30,31,32)
InChIKeyNXTYMZGZPLFVGK-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.74
Rot. Bonds5

About 6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine

6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 166713273) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is 6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
PubChem CID166713273
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccnc(Nc2cc(N3CCC4(CCCCC4)C3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C24H25F3N6O/c25-24(26,27)34-18-6-11-29-19(13-18)30-20-14-21(32-22(31-20)17-5-4-10-28-15-17)33-12-9-23(16-33)7-2-1-3-8-23/h4-6,10-11,13-15H,1-3,7-9,12,16H2,(H,29,30,31,32)
InChIKeyNXTYMZGZPLFVGK-UHFFFAOYSA-N
XLogP5.74
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine (CID 166713273) is 6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine is FC(F)(F)Oc1ccnc(Nc2cc(N3CCC4(CCCCC4)C3)nc(-c3cccnc3)n2)c1.
What is the InChIKey of 6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is NXTYMZGZPLFVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O/c25-24(26,27)34-18-6-11-29-19(13-18)30-20-14-21(32-22(31-20)17-5-4-10-28-15-17)33-12-9-23(16-33)7-2-1-3-8-23/h4-6,10-11,13-15H,1-3,7-9,12,16H2,(H,29,30,31,32).
What are the key properties of 6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine?
6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 470.50 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 166713273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).