3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)

C19H26F6N4O5 — CID 155828598

About 3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)

3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155828598) has the molecular formula C19H26F6N4O5 and a molecular weight of 504.43 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155828598
• Molecular Formula: C19H26F6N4O5
• Molecular Weight: 504.43 g/mol
• Exact Mass: 504.18
• IUPAC Name: 3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
• SMILES: COCC1CC2(CCN(c3ncccn3)CC2)CN1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C15H24N4O.2C2HF3O2/c1-18-12-15(10-13(18)11-20-2)4-8-19(9-5-15)14-16-6-3-7-17-14;2*3-2(4,5)1(6)7/h3,6-7,13H,4-5,8-12H2,1-2H3;2*(H,6,7)
• InChIKey: SVRIAKDTDGBNRK-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 116.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.43
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (CID 155828598) is 3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is COCC1CC2(CCN(c3ncccn3)CC2)CN1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is SVRIAKDTDGBNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.2C2HF3O2/c1-18-12-15(10-13(18)11-20-2)4-8-19(9-5-15)14-16-6-3-7-17-14;2*3-2(4,5)1(6)7/h3,6-7,13H,4-5,8-12H2,1-2H3;2*(H,6,7).

What are the key properties of 3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 504.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(methoxymethyl)-2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155828598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).