8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

C21H24F3N5O — CID 130201137

IUPAC8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C21H24F3N5O/c1-28(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-29(18(30)27-19)16-12-25-17(26-13-16)21(22,23)24/h3-7,12-13H,8-11,14H2,1-2H3,(H,27,30)
InChIKeyVTLRTHQVGSMLCZ-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.79
Rot. Bonds3

About 8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201137) has the molecular formula C21H24F3N5O and a molecular weight of 419.45 g/mol. Its IUPAC name is 8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201137
Molecular FormulaC21H24F3N5O
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC Name8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C21H24F3N5O/c1-28(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-29(18(30)27-19)16-12-25-17(26-13-16)21(22,23)24/h3-7,12-13H,8-11,14H2,1-2H3,(H,27,30)
InChIKeyVTLRTHQVGSMLCZ-UHFFFAOYSA-N
XLogP3.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Disubstituted Pyrimidine 3a
CID 5329426
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(pyrimidin-5-yl)piperazine-1-carboxamide
CID 11689938
N-benzyl-N-ethyl-2-(7-(2-fluoroethyl)-8-oxo-2-phenyl-7H-purin-9(8H)-yl)acetamide
CID 44582188
N-benzyl-N-(2-fluoroethyl)-2-(7-methyl-8-oxo-2-phenyl-7H-purin-9(8H)-yl)acetamide
CID 44582190
2-(4-Hexylphenyl)pyrimidin-5-amine
CID 603661
5-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)pyrimidine
CID 9967563
N-(4-Isopropylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 10023408
1-(2-(1H-imidazol-1-yl)-1-phenylethyl)-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea
CID 11635187
1-(2-(2-methyl-1H-imidazol-1-yl)-1-phenylethyl)-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea
CID 11635332
1-[5-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 15941390
1-[4-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 15941529
N-benzyl-2-(7-(2-fluoroethyl)-8-oxo-2-phenyl-7H-purin-9(8H)-yl)-N-methylacetamide
CID 44582189

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (CID 130201137) is 8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is VTLRTHQVGSMLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O/c1-28(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-29(18(30)27-19)16-12-25-17(26-13-16)21(22,23)24/h3-7,12-13H,8-11,14H2,1-2H3,(H,27,30).
What are the key properties of 8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 419.45 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).