6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine

C22H22F3N7O — CID 161112373

IUPAC6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccnc(Nc2cc(N3CCCC4(CNC4)C3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C22H22F3N7O/c23-22(24,25)33-16-4-7-28-17(9-16)29-18-10-19(31-20(30-18)15-3-1-6-26-11-15)32-8-2-5-21(14-32)12-27-13-21/h1,3-4,6-7,9-11,27H,2,5,8,12-14H2,(H,28,29,30,31)
InChIKeyUJWCPDHXJQCZBQ-UHFFFAOYSA-N
MW457.46 g/mol
LogP3.77
Rot. Bonds5

About 6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine

6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 161112373) has the molecular formula C22H22F3N7O and a molecular weight of 457.46 g/mol. Its IUPAC name is 6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
PubChem CID161112373
Molecular FormulaC22H22F3N7O
Molecular Weight457.46 g/mol
Exact Mass457.18
IUPAC Name6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccnc(Nc2cc(N3CCCC4(CNC4)C3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C22H22F3N7O/c23-22(24,25)33-16-4-7-28-17(9-16)29-18-10-19(31-20(30-18)15-3-1-6-26-11-15)32-8-2-5-21(14-32)12-27-13-21/h1,3-4,6-7,9-11,27H,2,5,8,12-14H2,(H,28,29,30,31)
InChIKeyUJWCPDHXJQCZBQ-UHFFFAOYSA-N
XLogP3.77
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine with MolForge

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Related Compounds

4,6-Dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]-2-pyrimidinamine
CID 138755794
5-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methoxypyridin-2-amine
CID 145981832
US10196391, Example 99
CID 121455938
US10196391, Example 71
CID 121455986
US10196391, Example 70
CID 121455953
US20260028365, Example 663
CID 170730727
US20260028365, Example 192
CID 170730903
1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 24732713
2,6-dimethoxy-N-{[2-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl}-4-pyrimidinamine
CID 28357852
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine
CID 56796824
N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine
CID 91648608
4-(4,6-Dimethoxy-pyrimidin-2-ylamino)-2-(3-pyridinyl)-6-trifluoromethylpyrimidine
CID 22732523

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine (CID 161112373) is 6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine is FC(F)(F)Oc1ccnc(Nc2cc(N3CCCC4(CNC4)C3)nc(-c3cccnc3)n2)c1.
What is the InChIKey of 6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is UJWCPDHXJQCZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7O/c23-22(24,25)33-16-4-7-28-17(9-16)29-18-10-19(31-20(30-18)15-3-1-6-26-11-15)32-8-2-5-21(14-32)12-27-13-21/h1,3-4,6-7,9-11,27H,2,5,8,12-14H2,(H,28,29,30,31).
What are the key properties of 6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine?
6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 457.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diazaspiro[3.5]nonan-6-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 161112373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).