6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid

C17H25F3N4O4 — CID 155855900

IUPAC6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCCOC1CCOC2(C1)CN(c1cc(N(C)C)ncn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4O2.C2HF3O2/c1-4-20-12-5-6-21-15(8-12)9-19(10-15)14-7-13(18(2)3)16-11-17-14;3-2(4,5)1(6)7/h7,11-12H,4-6,8-10H2,1-3H3;(H,6,7)
InChIKeyWZPHMDCOGZJBLT-UHFFFAOYSA-N
MW406.41 g/mol
LogP1.95
Rot. Bonds4

About 6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid

6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 155855900) has the molecular formula C17H25F3N4O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID155855900
Molecular FormulaC17H25F3N4O4
Molecular Weight406.41 g/mol
Exact Mass406.18
IUPAC Name6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCCOC1CCOC2(C1)CN(c1cc(N(C)C)ncn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4O2.C2HF3O2/c1-4-20-12-5-6-21-15(8-12)9-19(10-15)14-7-13(18(2)3)16-11-17-14;3-2(4,5)1(6)7/h7,11-12H,4-6,8-10H2,1-3H3;(H,6,7)
InChIKeyWZPHMDCOGZJBLT-UHFFFAOYSA-N
XLogP1.95
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-6-[7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155826162
N-[[2-[6-(dimethylamino)pyrimidin-4-yl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
CID 155827466
2-[[2-[6-(dimethylamino)pyrimidin-4-yl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155830608
2-cyclopropyl-N-[[2-[6-(dimethylamino)pyrimidin-4-yl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155831162
2-Pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155834560
N,N-dimethyl-6-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 155834860
7-(Morpholin-4-ylmethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155836343
N-[[2-[6-(dimethylamino)pyrimidin-4-yl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 155836472
2-Propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155836564
2-(5-Fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155844367
2-[[2-[6-(Dimethylamino)pyrimidin-4-yl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155844508
6-N-[(5R,9S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine;bis(2,2,2-trifluoroacetic acid)
CID 155847485

Frequently Asked Questions

What is the IUPAC name of 6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid (CID 155855900) is 6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid is CCOC1CCOC2(C1)CN(c1cc(N(C)C)ncn1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is WZPHMDCOGZJBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.C2HF3O2/c1-4-20-12-5-6-21-15(8-12)9-19(10-15)14-7-13(18(2)3)16-11-17-14;3-2(4,5)1(6)7/h7,11-12H,4-6,8-10H2,1-3H3;(H,6,7).
What are the key properties of 6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid?
6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 406.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-N,N-dimethylpyrimidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155855900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).