3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H25N5O4 — CID 70758115

IUPAC3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)OC1=O
InChIInChI=1S/C18H25N5O4/c1-2-21-13-18(27-17(21)25)3-5-22(6-4-18)15(24)14-11-19-16(20-12-14)23-7-9-26-10-8-23/h11-12H,2-10,13H2,1H3
InChIKeyKOMZKCOZPJYJIO-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.76
Rot. Bonds3

About 3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70758115) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70758115
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)OC1=O
InChIInChI=1S/C18H25N5O4/c1-2-21-13-18(27-17(21)25)3-5-22(6-4-18)15(24)14-11-19-16(20-12-14)23-7-9-26-10-8-23/h11-12H,2-10,13H2,1H3
InChIKeyKOMZKCOZPJYJIO-UHFFFAOYSA-N
XLogP0.76
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-hexyl-8-(2-methylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776384
4-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile
CID 22975687
8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20622662
[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 70750730
morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20863908
8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70768925
8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70726094
3-hexyl-8-(1-methylpyrazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70716389
[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 133110620
8-(6-methylpyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729484
(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157018229
1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254149

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70758115) is 3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)OC1=O.
What is the InChIKey of 3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KOMZKCOZPJYJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-2-21-13-18(27-17(21)25)3-5-22(6-4-18)15(24)14-11-19-16(20-12-14)23-7-9-26-10-8-23/h11-12H,2-10,13H2,1H3.
What are the key properties of 3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 375.43 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70758115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).