8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C22H28N4O — CID 72935131

IUPAC8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCc1cc(N2CCC3(CC2)CC(c2ccccc2)C(=O)N3C)nc(C)n1
InChIInChI=1S/C22H28N4O/c1-4-18-14-20(24-16(2)23-18)26-12-10-22(11-13-26)15-19(21(27)25(22)3)17-8-6-5-7-9-17/h5-9,14,19H,4,10-13,15H2,1-3H3
InChIKeyDGNMSDZQQDBIJI-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.33
Rot. Bonds3

About 8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 72935131) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID72935131
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCc1cc(N2CCC3(CC2)CC(c2ccccc2)C(=O)N3C)nc(C)n1
InChIInChI=1S/C22H28N4O/c1-4-18-14-20(24-16(2)23-18)26-12-10-22(11-13-26)15-19(21(27)25(22)3)17-8-6-5-7-9-17/h5-9,14,19H,4,10-13,15H2,1-3H3
InChIKeyDGNMSDZQQDBIJI-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 72935131) is 8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CCc1cc(N2CCC3(CC2)CC(c2ccccc2)C(=O)N3C)nc(C)n1.
What is the InChIKey of 8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DGNMSDZQQDBIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-4-18-14-20(24-16(2)23-18)26-12-10-22(11-13-26)15-19(21(27)25(22)3)17-8-6-5-7-9-17/h5-9,14,19H,4,10-13,15H2,1-3H3.
What are the key properties of 8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-ethyl-2-methylpyrimidin-4-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72935131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).