[2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone

C18H26N4O3 — CID 118739019

IUPAC[2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
SMILESCc1cnc(N2CC(C(=O)N3CCOCC3)C3(CCOCC3)C2)nc1
InChIInChI=1S/C18H26N4O3/c1-14-10-19-17(20-11-14)22-12-15(16(23)21-4-8-25-9-5-21)18(13-22)2-6-24-7-3-18/h10-11,15H,2-9,12-13H2,1H3
InChIKeyJEXQYJGMTKJOLL-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.88
Rot. Bonds2

About [2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone

[2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone (PubChem CID 118739019) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
PubChem CID118739019
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name[2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
SMILESCc1cnc(N2CC(C(=O)N3CCOCC3)C3(CCOCC3)C2)nc1
InChIInChI=1S/C18H26N4O3/c1-14-10-19-17(20-11-14)22-12-15(16(23)21-4-8-25-9-5-21)18(13-22)2-6-24-7-3-18/h10-11,15H,2-9,12-13H2,1H3
InChIKeyJEXQYJGMTKJOLL-UHFFFAOYSA-N
XLogP0.88
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone (CID 118739019) is [2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone is Cc1cnc(N2CC(C(=O)N3CCOCC3)C3(CCOCC3)C2)nc1.
What is the InChIKey of [2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The InChIKey is JEXQYJGMTKJOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-14-10-19-17(20-11-14)22-12-15(16(23)21-4-8-25-9-5-21)18(13-22)2-6-24-7-3-18/h10-11,15H,2-9,12-13H2,1H3.
What are the key properties of [2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
[2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118739019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).