(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone

C14H19N3O3 — CID 118739142

IUPAC(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone
SMILESCOC1COC2(CCN(C(=O)c3ncccn3)CC2)C1
InChIInChI=1S/C14H19N3O3/c1-19-11-9-14(20-10-11)3-7-17(8-4-14)13(18)12-15-5-2-6-16-12/h2,5-6,11H,3-4,7-10H2,1H3
InChIKeyKCTDNGRLPGWKIM-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.89
Rot. Bonds2

About (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone

(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone (PubChem CID 118739142) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone
PubChem CID118739142
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone
SMILESCOC1COC2(CCN(C(=O)c3ncccn3)CC2)C1
InChIInChI=1S/C14H19N3O3/c1-19-11-9-14(20-10-11)3-7-17(8-4-14)13(18)12-15-5-2-6-16-12/h2,5-6,11H,3-4,7-10H2,1H3
InChIKeyKCTDNGRLPGWKIM-UHFFFAOYSA-N
XLogP0.89
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-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 (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone?
The IUPAC name of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone (CID 118739142) is (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone is COC1COC2(CCN(C(=O)c3ncccn3)CC2)C1.
What is the InChIKey of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone?
The InChIKey is KCTDNGRLPGWKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-11-9-14(20-10-11)3-7-17(8-4-14)13(18)12-15-5-2-6-16-12/h2,5-6,11H,3-4,7-10H2,1H3.
What are the key properties of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone?
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone has a molecular weight of 277.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 118739142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).