2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone

C18H26N4O4 — CID 124797049

IUPAC2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESCOc1cc(N2CC3(C2)OCC[C@H]3COCC(=O)N2CCCC2)ncn1
InChIInChI=1S/C18H26N4O4/c1-24-16-8-15(19-13-20-16)22-11-18(12-22)14(4-7-26-18)9-25-10-17(23)21-5-2-3-6-21/h8,13-14H,2-7,9-12H2,1H3/t14-/m0/s1
InChIKeyOAUPVRREIKJOOO-AWEZNQCLSA-N
MW362.43 g/mol
LogP0.72
Rot. Bonds6

About 2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone

2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 124797049) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone
PubChem CID124797049
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESCOc1cc(N2CC3(C2)OCC[C@H]3COCC(=O)N2CCCC2)ncn1
InChIInChI=1S/C18H26N4O4/c1-24-16-8-15(19-13-20-16)22-11-18(12-22)14(4-7-26-18)9-25-10-17(23)21-5-2-3-6-21/h8,13-14H,2-7,9-12H2,1H3/t14-/m0/s1
InChIKeyOAUPVRREIKJOOO-AWEZNQCLSA-N
XLogP0.72
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

[(3aS,4S,7aS)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 97362879
[(3aS,4R,7aS)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 97365009
2-[[2-(6-Methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155862087
2-[[2-(6-Methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155865136
2-[[2-(6-methoxypyrimidin-4-yl)-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 155866576
2-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide
CID 97420929
2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide
CID 97418823
2-[[(3S)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide
CID 97418824
2-[[(3aS,6aS)-2-(6-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide
CID 97477177
N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidine-1-carboxamide
CID 124226902
N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidine-1-carboxamide
CID 124226903
2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide
CID 124788909

Frequently Asked Questions

What is the IUPAC name of 2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone (CID 124797049) is 2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone is COc1cc(N2CC3(C2)OCC[C@H]3COCC(=O)N2CCCC2)ncn1.
What is the InChIKey of 2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is OAUPVRREIKJOOO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-24-16-8-15(19-13-20-16)22-11-18(12-22)14(4-7-26-18)9-25-10-17(23)21-5-2-3-6-21/h8,13-14H,2-7,9-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone?
2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 362.43 g/mol, XLogP of 0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 124797049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).