morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid

C19H26F3N5O5 — CID 155827827

IUPACmorpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(N1CCOCC1)N1CCOCC2(CCN(c3ncccn3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N5O3.C2HF3O2/c23-16(20-6-9-24-10-7-20)22-8-11-25-14-17(13-22)2-5-21(12-17)15-18-3-1-4-19-15;3-2(4,5)1(6)7/h1,3-4H,2,5-14H2;(H,6,7)
InChIKeyHOGFBOOQDMBRDN-UHFFFAOYSA-N
MW461.44 g/mol
LogP1.09
Rot. Bonds1

About morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid

morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155827827) has the molecular formula C19H26F3N5O5 and a molecular weight of 461.44 g/mol. Its IUPAC name is morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemorpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155827827
Molecular FormulaC19H26F3N5O5
Molecular Weight461.44 g/mol
Exact Mass461.19
IUPAC Namemorpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(N1CCOCC1)N1CCOCC2(CCN(c3ncccn3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N5O3.C2HF3O2/c23-16(20-6-9-24-10-7-20)22-8-11-25-14-17(13-22)2-5-21(12-17)15-18-3-1-4-19-15;3-2(4,5)1(6)7/h1,3-4H,2,5-14H2;(H,6,7)
InChIKeyHOGFBOOQDMBRDN-UHFFFAOYSA-N
XLogP1.09
TPSA108.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide
CID 97399487
2-Ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone
CID 118743212
N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 118744055
10-(Oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746905
2-(2-Methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118742449
1-(2-Methoxyethyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118742720
7-(2-Methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 118742994
N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid
CID 118743208
N,N-dimethyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118743209
2-Ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone;2,2,2-trifluoroacetic acid
CID 118743211
2-Methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118743458
11-(Cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 118743549

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid (CID 155827827) is morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid is O=C(N1CCOCC1)N1CCOCC2(CCN(c3ncccn3)C2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is HOGFBOOQDMBRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3.C2HF3O2/c23-16(20-6-9-24-10-7-20)22-8-11-25-14-17(13-22)2-5-21(12-17)15-18-3-1-4-19-15;3-2(4,5)1(6)7/h1,3-4H,2,5-14H2;(H,6,7).
What are the key properties of morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid?
morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 461.44 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155827827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).