(5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

C15H23N3O3 — CID 110156248

IUPAC(5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1ncc(CN2CC[C@@]3(CCCO3)[C@@H](OC)C2)cn1
InChIInChI=1S/C15H23N3O3/c1-19-13-11-18(6-5-15(13)4-3-7-21-15)10-12-8-16-14(20-2)17-9-12/h8-9,13H,3-7,10-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyCQSXZNGUXHUPMW-ZFWWWQNUSA-N
MW293.37 g/mol
LogP1.26
Rot. Bonds4

About (5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

(5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 110156248) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID110156248
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1ncc(CN2CC[C@@]3(CCCO3)[C@@H](OC)C2)cn1
InChIInChI=1S/C15H23N3O3/c1-19-13-11-18(6-5-15(13)4-3-7-21-15)10-12-8-16-14(20-2)17-9-12/h8-9,13H,3-7,10-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyCQSXZNGUXHUPMW-ZFWWWQNUSA-N
XLogP1.26
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215
4-[[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]benzoic acid
CID 110159544
(5S)-5-methoxy-9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane
CID 124998126
2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
CID 110156101
N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 110167305
(5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 110155777
N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 125013799
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone
CID 110156841
1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol
CID 138384814
2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
CID 131893140
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110167306
(5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane
CID 110155857

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 110156248) is (5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane is COc1ncc(CN2CC[C@@]3(CCCO3)[C@@H](OC)C2)cn1.
What is the InChIKey of (5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is CQSXZNGUXHUPMW-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-19-13-11-18(6-5-15(13)4-3-7-21-15)10-12-8-16-14(20-2)17-9-12/h8-9,13H,3-7,10-11H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of (5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
(5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 293.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 110156248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).