8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one

C25H33FN6O2 — CID 130201418

IUPAC8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccc(F)cc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C25H33FN6O2/c1-18-21(16-27-22(28-18)31-12-14-34-15-13-31)32-17-24(29-23(32)33)8-10-25(11-9-24,30(2)3)19-4-6-20(26)7-5-19/h4-7,16H,8-15,17H2,1-3H3,(H,29,33)
InChIKeyLUTUZOKZPCJOPS-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.06
Rot. Bonds4

About 8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201418) has the molecular formula C25H33FN6O2 and a molecular weight of 468.58 g/mol. Its IUPAC name is 8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201418
Molecular FormulaC25H33FN6O2
Molecular Weight468.58 g/mol
Exact Mass468.26
IUPAC Name8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccc(F)cc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C25H33FN6O2/c1-18-21(16-27-22(28-18)31-12-14-34-15-13-31)32-17-24(29-23(32)33)8-10-25(11-9-24,30(2)3)19-4-6-20(26)7-5-19/h4-7,16H,8-15,17H2,1-3H3,(H,29,33)
InChIKeyLUTUZOKZPCJOPS-UHFFFAOYSA-N
XLogP3.06
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one (CID 130201418) is 8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one is Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccc(F)cc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is LUTUZOKZPCJOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O2/c1-18-21(16-27-22(28-18)31-12-14-34-15-13-31)32-17-24(29-23(32)33)8-10-25(11-9-24,30(2)3)19-4-6-20(26)7-5-19/h4-7,16H,8-15,17H2,1-3H3,(H,29,33).
What are the key properties of 8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 468.58 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).