6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone

C19H21N3O2 — CID 71968472

IUPAC6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccc2)nc1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C19H21N3O2/c23-18(22-10-11-24-19(14-22)8-4-5-9-19)16-12-20-17(21-13-16)15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2
InChIKeyGGRDCDYVZYGAHX-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.93
Rot. Bonds2

About 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone

6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone (PubChem CID 71968472) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone
PubChem CID71968472
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccc2)nc1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C19H21N3O2/c23-18(22-10-11-24-19(14-22)8-4-5-9-19)16-12-20-17(21-13-16)15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2
InChIKeyGGRDCDYVZYGAHX-UHFFFAOYSA-N
XLogP2.93
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone?
The IUPAC name of 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone (CID 71968472) is 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone.
What is the SMILES notation for 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone?
The canonical SMILES for 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone is O=C(c1cnc(-c2ccccc2)nc1)N1CCOC2(CCCC2)C1.
What is the InChIKey of 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone?
The InChIKey is GGRDCDYVZYGAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(22-10-11-24-19(14-22)8-4-5-9-19)16-12-20-17(21-13-16)15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2.
What are the key properties of 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone?
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone has a molecular weight of 323.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone is sourced from PubChem (CID 71968472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).