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

C23H30FN5O — CID 157131245

IUPAC8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCCc1ncc(N2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1
InChIInChI=1S/C23H30FN5O/c1-5-20-25-14-19(16(2)26-20)29-15-22(27-21(29)30)9-11-23(12-10-22,28(3)4)17-7-6-8-18(24)13-17/h6-8,13-14H,5,9-12,15H2,1-4H3,(H,27,30)
InChIKeyGXJNXTMGPISHMQ-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.79
Rot. Bonds4

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

8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 157131245) has the molecular formula C23H30FN5O and a molecular weight of 411.53 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID157131245
Molecular FormulaC23H30FN5O
Molecular Weight411.53 g/mol
Exact Mass411.24
IUPAC Name8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCCc1ncc(N2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1
InChIInChI=1S/C23H30FN5O/c1-5-20-25-14-19(16(2)26-20)29-15-22(27-21(29)30)9-11-23(12-10-22,28(3)4)17-7-6-8-18(24)13-17/h6-8,13-14H,5,9-12,15H2,1-4H3,(H,27,30)
InChIKeyGXJNXTMGPISHMQ-UHFFFAOYSA-N
XLogP3.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one (CID 157131245) is 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one is CCc1ncc(N2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1.
What is the InChIKey of 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is GXJNXTMGPISHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O/c1-5-20-25-14-19(16(2)26-20)29-15-22(27-21(29)30)9-11-23(12-10-22,28(3)4)17-7-6-8-18(24)13-17/h6-8,13-14H,5,9-12,15H2,1-4H3,(H,27,30).
What are the key properties of 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 411.53 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 157131245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).