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

C21H26N4O — CID 118738924

IUPAC1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)CC(c2ccccc2)C12CCN(c1ncc(C)cn1)CC2
InChIInChI=1S/C21H26N4O/c1-3-25-19(26)13-18(17-7-5-4-6-8-17)21(25)9-11-24(12-10-21)20-22-14-16(2)15-23-20/h4-8,14-15,18H,3,9-13H2,1-2H3
InChIKeyJATZIZWOAWWKFZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.16
Rot. Bonds3

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

1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118738924) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118738924
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)CC(c2ccccc2)C12CCN(c1ncc(C)cn1)CC2
InChIInChI=1S/C21H26N4O/c1-3-25-19(26)13-18(17-7-5-4-6-8-17)21(25)9-11-24(12-10-21)20-22-14-16(2)15-23-20/h4-8,14-15,18H,3,9-13H2,1-2H3
InChIKeyJATZIZWOAWWKFZ-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 118738924) is 1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is CCN1C(=O)CC(c2ccccc2)C12CCN(c1ncc(C)cn1)CC2.
What is the InChIKey of 1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JATZIZWOAWWKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-25-19(26)13-18(17-7-5-4-6-8-17)21(25)9-11-24(12-10-21)20-22-14-16(2)15-23-20/h4-8,14-15,18H,3,9-13H2,1-2H3.
What are the key properties of 1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 350.47 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118738924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).