N,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid)

C17H22F6N4O5 — CID 155832707

IUPACN,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)CC1CC2(CO1)CN(c1ncccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N4O.2C2HF3O2/c1-16(2)7-11-6-13(10-18-11)8-17(9-13)12-14-4-3-5-15-12;2*3-2(4,5)1(6)7/h3-5,11H,6-10H2,1-2H3;2*(H,6,7)
InChIKeyNJNPSZBXACYMBG-UHFFFAOYSA-N
MW476.37 g/mol
LogP1.90
Rot. Bonds3

About N,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid)

N,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155832707) has the molecular formula C17H22F6N4O5 and a molecular weight of 476.37 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155832707
Molecular FormulaC17H22F6N4O5
Molecular Weight476.37 g/mol
Exact Mass476.15
IUPAC NameN,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)CC1CC2(CO1)CN(c1ncccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N4O.2C2HF3O2/c1-16(2)7-11-6-13(10-18-11)8-17(9-13)12-14-4-3-5-15-12;2*3-2(4,5)1(6)7/h3-5,11H,6-10H2,1-2H3;2*(H,6,7)
InChIKeyNJNPSZBXACYMBG-UHFFFAOYSA-N
XLogP1.90
TPSA116.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

7-(2-Methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 118742994
11-(Cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 118743549
N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid
CID 118744054
2-(Oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 118745287
2-(2-Methoxyethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118745405
8-(Cyclopropylmethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746090
2-(Oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 118746139
8-(2-Methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746393
10-(Oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746904
10-(Cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746974
2-[4-(Oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 154886902
2-[3-(Methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanol;2,2,2-trifluoroacetic acid
CID 155827596

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid) (CID 155832707) is N,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid) is CN(C)CC1CC2(CO1)CN(c1ncccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is NJNPSZBXACYMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.2C2HF3O2/c1-16(2)7-11-6-13(10-18-11)8-17(9-13)12-14-4-3-5-15-12;2*3-2(4,5)1(6)7/h3-5,11H,6-10H2,1-2H3;2*(H,6,7).
What are the key properties of N,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 476.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155832707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).