N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid

C19H28F3N5O3 — CID 118742686

IUPACN,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1cnc(N2CCCC3(CCCN3CC(=O)N(C)C)C2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H27N5O.C2HF3O2/c1-14-10-18-16(19-11-14)21-8-4-6-17(13-21)7-5-9-22(17)12-15(23)20(2)3;3-2(4,5)1(6)7/h10-11H,4-9,12-13H2,1-3H3;(H,6,7)
InChIKeyXPPAVLYNLSXEGU-UHFFFAOYSA-N
MW431.46 g/mol
LogP1.94
Rot. Bonds3

About N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118742686) has the molecular formula C19H28F3N5O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID118742686
Molecular FormulaC19H28F3N5O3
Molecular Weight431.46 g/mol
Exact Mass431.21
IUPAC NameN,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1cnc(N2CCCC3(CCCN3CC(=O)N(C)C)C2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H27N5O.C2HF3O2/c1-14-10-18-16(19-11-14)21-8-4-6-17(13-21)7-5-9-22(17)12-15(23)20(2)3;3-2(4,5)1(6)7/h10-11H,4-9,12-13H2,1-3H3;(H,6,7)
InChIKeyXPPAVLYNLSXEGU-UHFFFAOYSA-N
XLogP1.94
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;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

Related Compounds

2-[(4aR,7aR)-1-(5-methylpyrimidin-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide
CID 97508742
N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide
CID 118742687
2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
CID 118742690
6-Methyl-2-(5-methylpyrimidin-2-yl)-2,6-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118742198
2-(Cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118742471
2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 118742689
1-Ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118742700
1-(3-Methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118742706
N,N-dimethyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118743209
(3aS,7aS)-5-(cyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 127021714
(3aR,7aS)-5-(cyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 127021872
2-[(3aR,7aR)-2-(5-methylpyrimidin-2-yl)-4-oxo-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 127021873

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid (CID 118742686) is N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid is Cc1cnc(N2CCCC3(CCCN3CC(=O)N(C)C)C2)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is XPPAVLYNLSXEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O.C2HF3O2/c1-14-10-18-16(19-11-14)21-8-4-6-17(13-21)7-5-9-22(17)12-15(23)20(2)3;3-2(4,5)1(6)7/h10-11H,4-9,12-13H2,1-3H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 431.46 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[9-(5-methylpyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).