(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

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Related Compounds

[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-2-ylmethanone
CID 97419498
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-2-ylmethanone
CID 97419728
N,N-dimethyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide
CID 118740942
[3-(Ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 118741093
N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide
CID 118742870
2-{3-[(Cyclopropylmethoxy)methyl]-4,4-difluoropiperidine-1-carbonyl}pyrimidine
CID 124051180
8-{[4-(2-Pyrimidinyl)-1-piperazinyl]acetyl}-1-oxa-8-azaspiro[4.5]decane
CID 56874306
N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-ethyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide
CID 72928149
1-[4-(Pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecan-9-YL]propan-1-one
CID 132339804
[(4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-pyrimidin-2-ylmethanone
CID 133142799
[(4S,4aR,7aR)-6-ethyl-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-pyrimidin-2-ylmethanone
CID 133142818
[(4R,4aR,7aR)-6-ethyl-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-pyrimidin-2-ylmethanone
CID 133144337

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).