3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid

C19H28F3N5O4 — CID 155828480

IUPAC3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCC1CC2(CCN(C(=O)N(C)C)CC2)CN1c1ncccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H27N5O2.C2HF3O2/c1-20(2)16(23)21-9-5-17(6-10-21)11-14(12-24-3)22(13-17)15-18-7-4-8-19-15;3-2(4,5)1(6)7/h4,7-8,14H,5-6,9-13H2,1-3H3;(H,6,7)
InChIKeySDPXVYQQMLJPCI-UHFFFAOYSA-N
MW447.46 g/mol
LogP2.10
Rot. Bonds3

About 3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid

3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155828480) has the molecular formula C19H28F3N5O4 and a molecular weight of 447.46 g/mol. Its IUPAC name is 3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155828480
Molecular FormulaC19H28F3N5O4
Molecular Weight447.46 g/mol
Exact Mass447.21
IUPAC Name3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCC1CC2(CCN(C(=O)N(C)C)CC2)CN1c1ncccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H27N5O2.C2HF3O2/c1-20(2)16(23)21-9-5-17(6-10-21)11-14(12-24-3)22(13-17)15-18-7-4-8-19-15;3-2(4,5)1(6)7/h4,7-8,14H,5-6,9-13H2,1-3H3;(H,6,7)
InChIKeySDPXVYQQMLJPCI-UHFFFAOYSA-N
XLogP2.10
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid (CID 155828480) is 3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid is COCC1CC2(CCN(C(=O)N(C)C)CC2)CN1c1ncccn1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SDPXVYQQMLJPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2.C2HF3O2/c1-20(2)16(23)21-9-5-17(6-10-21)11-14(12-24-3)22(13-17)15-18-7-4-8-19-15;3-2(4,5)1(6)7/h4,7-8,14H,5-6,9-13H2,1-3H3;(H,6,7).
What are the key properties of 3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid?
3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 447.46 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155828480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).