(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone

C22H28N4O — CID 72926028

IUPAC(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCCc1ncc(C(=O)N2CCC3(CC2)CC(c2ccccc2)CN3C)cn1
InChIInChI=1S/C22H28N4O/c1-3-20-23-14-19(15-24-20)21(27)26-11-9-22(10-12-26)13-18(16-25(22)2)17-7-5-4-6-8-17/h4-8,14-15,18H,3,9-13,16H2,1-2H3
InChIKeyRVXMEMIMCYPEKU-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.13
Rot. Bonds3

About (2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone

(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone (PubChem CID 72926028) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
PubChem CID72926028
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCCc1ncc(C(=O)N2CCC3(CC2)CC(c2ccccc2)CN3C)cn1
InChIInChI=1S/C22H28N4O/c1-3-20-23-14-19(15-24-20)21(27)26-11-9-22(10-12-26)13-18(16-25(22)2)17-7-5-4-6-8-17/h4-8,14-15,18H,3,9-13,16H2,1-2H3
InChIKeyRVXMEMIMCYPEKU-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72866137
(4-chlorophenyl)-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97283105
(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97272470
(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190010
1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione
CID 97453749
2-(2-hydroxyphenyl)-1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97444886
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-4-ylethanone
CID 97271298
(E)-1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pent-3-en-1-one
CID 97276986
(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
CID 72843342
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
CID 97272698
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone
CID 97120580

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone (CID 72926028) is (2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone is CCc1ncc(C(=O)N2CCC3(CC2)CC(c2ccccc2)CN3C)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is RVXMEMIMCYPEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-3-20-23-14-19(15-24-20)21(27)26-11-9-22(10-12-26)13-18(16-25(22)2)17-7-5-4-6-8-17/h4-8,14-15,18H,3,9-13,16H2,1-2H3.
What are the key properties of (2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 72926028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).