8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

C24H32FN5O2 — CID 172991670

IUPAC8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1nc(C(C)(C)O)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C24H32FN5O2/c1-16-19(14-26-20(27-16)22(2,3)32)30-15-23(28-21(30)31)9-11-24(12-10-23,29(4)5)17-7-6-8-18(25)13-17/h6-8,13-14,32H,9-12,15H2,1-5H3,(H,28,31)
InChIKeyDMWJJZHLFWTGFK-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.45
Rot. Bonds4

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

8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 172991670) has the molecular formula C24H32FN5O2 and a molecular weight of 441.55 g/mol. Its IUPAC name is 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID172991670
Molecular FormulaC24H32FN5O2
Molecular Weight441.55 g/mol
Exact Mass441.25
IUPAC Name8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1nc(C(C)(C)O)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C24H32FN5O2/c1-16-19(14-26-20(27-16)22(2,3)32)30-15-23(28-21(30)31)9-11-24(12-10-23,29(4)5)17-7-6-8-18(25)13-17/h6-8,13-14,32H,9-12,15H2,1-5H3,(H,28,31)
InChIKeyDMWJJZHLFWTGFK-UHFFFAOYSA-N
XLogP3.45
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (CID 172991670) is 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is Cc1nc(C(C)(C)O)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is DMWJJZHLFWTGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O2/c1-16-19(14-26-20(27-16)22(2,3)32)30-15-23(28-21(30)31)9-11-24(12-10-23,29(4)5)17-7-6-8-18(25)13-17/h6-8,13-14,32H,9-12,15H2,1-5H3,(H,28,31).
What are the key properties of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 441.55 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 172991670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).