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

C18H26N4O4 — CID 124797051

IUPAC2-[[(8R)-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-/m1/s1
InChIKeyOAUPVRREIKJOOO-CQSZACIVSA-N
MW362.43 g/mol
LogP0.72
Rot. Bonds6

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

2-[[(8R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 124797051) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[[(8R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(8R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone
PubChem CID124797051
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-[[(8R)-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-/m1/s1
InChIKeyOAUPVRREIKJOOO-CQSZACIVSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(8R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[(8R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone (CID 124797051) is 2-[[(8R)-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-[[(8R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[(8R)-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-[[(8R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is OAUPVRREIKJOOO-CQSZACIVSA-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-/m1/s1.
What are the key properties of 2-[[(8R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone?
2-[[(8R)-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-[[(8R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 124797051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).