1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one

C19H22N4O — CID 118740873

IUPAC1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2ccccc2)C12CCN(c1ncccn1)CC2
InChIInChI=1S/C19H22N4O/c1-22-17(24)14-16(15-6-3-2-4-7-15)19(22)8-12-23(13-9-19)18-20-10-5-11-21-18/h2-7,10-11,16H,8-9,12-14H2,1H3
InChIKeyAWWFTAXLCSWTQC-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.46
Rot. Bonds2

About 1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one

1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118740873) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118740873
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2ccccc2)C12CCN(c1ncccn1)CC2
InChIInChI=1S/C19H22N4O/c1-22-17(24)14-16(15-6-3-2-4-7-15)19(22)8-12-23(13-9-19)18-20-10-5-11-21-18/h2-7,10-11,16H,8-9,12-14H2,1H3
InChIKeyAWWFTAXLCSWTQC-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one (CID 118740873) is 1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CC(c2ccccc2)C12CCN(c1ncccn1)CC2.
What is the InChIKey of 1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AWWFTAXLCSWTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22-17(24)14-16(15-6-3-2-4-7-15)19(22)8-12-23(13-9-19)18-20-10-5-11-21-18/h2-7,10-11,16H,8-9,12-14H2,1H3.
What are the key properties of 1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 322.41 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118740873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).