[1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone

C21H28N6O3 — CID 155900785

IUPAC[1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
SMILESCCc1cnc(N2CCC3(CC2)OC(C(=O)N2CCOCC2)Cn2ccnc23)nc1
InChIInChI=1S/C21H28N6O3/c1-2-16-13-23-20(24-14-16)26-6-3-21(4-7-26)19-22-5-8-27(19)15-17(30-21)18(28)25-9-11-29-12-10-25/h5,8,13-14,17H,2-4,6-7,9-12,15H2,1H3
InChIKeyKGKWRVGLKVGJOT-UHFFFAOYSA-N
MW412.49 g/mol
LogP0.99
Rot. Bonds3

About [1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone

[1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone (PubChem CID 155900785) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is [1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
PubChem CID155900785
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name[1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
SMILESCCc1cnc(N2CCC3(CC2)OC(C(=O)N2CCOCC2)Cn2ccnc23)nc1
InChIInChI=1S/C21H28N6O3/c1-2-16-13-23-20(24-14-16)26-6-3-21(4-7-26)19-22-5-8-27(19)15-17(30-21)18(28)25-9-11-29-12-10-25/h5,8,13-14,17H,2-4,6-7,9-12,15H2,1H3
InChIKeyKGKWRVGLKVGJOT-UHFFFAOYSA-N
XLogP0.99
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone (CID 155900785) is [1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone is CCc1cnc(N2CCC3(CC2)OC(C(=O)N2CCOCC2)Cn2ccnc23)nc1.
What is the InChIKey of [1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is KGKWRVGLKVGJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-2-16-13-23-20(24-14-16)26-6-3-21(4-7-26)19-22-5-8-27(19)15-17(30-21)18(28)25-9-11-29-12-10-25/h5,8,13-14,17H,2-4,6-7,9-12,15H2,1H3.
What are the key properties of [1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone?
[1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 412.49 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155900785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).