8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C20H24FN5O — CID 130200924

IUPAC8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncncc1F)C(=O)N2
InChIInChI=1S/C20H24FN5O/c1-25(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)13-26(18(27)24-19)17-16(21)12-22-14-23-17/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,27)
InChIKeyNZUXCTCISONWCS-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.92
Rot. Bonds3

About 8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200924) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200924
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncncc1F)C(=O)N2
InChIInChI=1S/C20H24FN5O/c1-25(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)13-26(18(27)24-19)17-16(21)12-22-14-23-17/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,27)
InChIKeyNZUXCTCISONWCS-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one 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

(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(pyrimidin-5-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895816
5-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)pyrimidine
CID 9967563
(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 15950679
6-(4-Amino-4-(4-tert-butylbenzyl)piperidin-1-yl)-7H-purin-8(9H)-one
CID 23658173
1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]urea
CID 117995665
1-[(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 118002788
US10696665, Example 8
CID 132219373
9-[[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)-7H-purin-8-one
CID 129139900
4-fluoro-4-[[8-oxo-2-(2-propan-2-ylphenyl)-7H-purin-9-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 129140027
US10807988, Example SC_3401
CID 130201129
US10807988, Example SC_3022
CID 130201136
US10807988, Example SC_3038
CID 130201507

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200924) is 8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncncc1F)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is NZUXCTCISONWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-25(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)13-26(18(27)24-19)17-16(21)12-22-14-23-17/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,27).
What are the key properties of 8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 369.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).