1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine

C13H17F3N4O — CID 157153560

IUPAC1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncccn1.O=C1NCC2(CCCCC2)N1
InChIInChI=1S/C8H14N2O.C5H3F3N2/c11-7-9-6-8(10-7)4-2-1-3-5-8;6-5(7,8)4-9-2-1-3-10-4/h1-6H2,(H2,9,10,11);1-3H
InChIKeyALNSXODHVMOBCG-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.50
Rot. Bonds

About 1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine

1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine (PubChem CID 157153560) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine
PubChem CID157153560
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncccn1.O=C1NCC2(CCCCC2)N1
InChIInChI=1S/C8H14N2O.C5H3F3N2/c11-7-9-6-8(10-7)4-2-1-3-5-8;6-5(7,8)4-9-2-1-3-10-4/h1-6H2,(H2,9,10,11);1-3H
InChIKeyALNSXODHVMOBCG-UHFFFAOYSA-N
XLogP2.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,9-triazaspiro[4.5]decan-2-one
CID 83679914
7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
CID 115502365
1-[2-(trifluoromethyl)pyrimidin-5-yl]cyclohexan-1-ol
CID 155060677
N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine
CID 162098302
2-phenyl-5,7-diazaspiro[3.4]octan-6-one
CID 153298237
6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]
CID 116739882
1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
CID 150305620
7-(trifluoromethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-2,1'-cyclohexane]-4-one
CID 115502337
9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
CID 97370786
spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one
CID 90379626
3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one
CID 11241464
spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid
CID 82377104

Frequently Asked Questions

What is the IUPAC name of 1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine?
The IUPAC name of 1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine (CID 157153560) is 1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine is FC(F)(F)c1ncccn1.O=C1NCC2(CCCCC2)N1.
What is the InChIKey of 1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine?
The InChIKey is ALNSXODHVMOBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C5H3F3N2/c11-7-9-6-8(10-7)4-2-1-3-5-8;6-5(7,8)4-9-2-1-3-10-4/h1-6H2,(H2,9,10,11);1-3H.
What are the key properties of 1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine?
1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine has a molecular weight of 302.30 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 157153560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).