2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid

C18H25F3N4O6 — CID 155868779

IUPAC2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)NCC1CCC2(CN(c3cc(OC)ncn3)C2)OC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4O4.C2HF3O2/c1-22-8-14(21)17-6-12-3-4-16(24-7-12)9-20(10-16)13-5-15(23-2)19-11-18-13;3-2(4,5)1(6)7/h5,11-12H,3-4,6-10H2,1-2H3,(H,17,21);(H,6,7)
InChIKeyYMHHYPBJUSQVBU-UHFFFAOYSA-N
MW450.41 g/mol
LogP0.87
Rot. Bonds6

About 2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid

2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155868779) has the molecular formula C18H25F3N4O6 and a molecular weight of 450.41 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155868779
Molecular FormulaC18H25F3N4O6
Molecular Weight450.41 g/mol
Exact Mass450.17
IUPAC Name2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)NCC1CCC2(CN(c3cc(OC)ncn3)C2)OC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4O4.C2HF3O2/c1-22-8-14(21)17-6-12-3-4-16(24-7-12)9-20(10-16)13-5-15(23-2)19-11-18-13;3-2(4,5)1(6)7/h5,11-12H,3-4,6-10H2,1-2H3,(H,17,21);(H,6,7)
InChIKeyYMHHYPBJUSQVBU-UHFFFAOYSA-N
XLogP0.87
TPSA123.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

3-[[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid
CID 155825142
1-[[2-(6-Methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155826088
N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155826968
N-[[(1R,3aR,7aR)-5-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 155827134
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-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
3-[9-(6-Methoxypyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid
CID 155834472
N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155836535
3-[(5R,9S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid
CID 155837206
N-[9-(6-methoxypyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 155839224
N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155839920
3-[2-[(3aS,7aR)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid
CID 155846010

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (CID 155868779) is 2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is COCC(=O)NCC1CCC2(CN(c3cc(OC)ncn3)C2)OC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is YMHHYPBJUSQVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4.C2HF3O2/c1-22-8-14(21)17-6-12-3-4-16(24-7-12)9-20(10-16)13-5-15(23-2)19-11-18-13;3-2(4,5)1(6)7/h5,11-12H,3-4,6-10H2,1-2H3,(H,17,21);(H,6,7).
What are the key properties of 2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 450.41 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155868779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).