4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine

C17H26N4O2 — CID 97451181

IUPAC4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine
SMILESCOc1cc(N2CCC3(CC2)CC(N2CCOCC2)C3)ncn1
InChIInChI=1S/C17H26N4O2/c1-22-16-10-15(18-13-19-16)21-4-2-17(3-5-21)11-14(12-17)20-6-8-23-9-7-20/h10,13-14H,2-9,11-12H2,1H3
InChIKeyVGFAIWKMXHLLJR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.57
Rot. Bonds3

About 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine

4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine (PubChem CID 97451181) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine
PubChem CID97451181
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine
SMILESCOc1cc(N2CCC3(CC2)CC(N2CCOCC2)C3)ncn1
InChIInChI=1S/C17H26N4O2/c1-22-16-10-15(18-13-19-16)21-4-2-17(3-5-21)11-14(12-17)20-6-8-23-9-7-20/h10,13-14H,2-9,11-12H2,1H3
InChIKeyVGFAIWKMXHLLJR-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine?
The IUPAC name of 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine (CID 97451181) is 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine.
What is the SMILES notation for 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine?
The canonical SMILES for 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine is COc1cc(N2CCC3(CC2)CC(N2CCOCC2)C3)ncn1.
What is the InChIKey of 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine?
The InChIKey is VGFAIWKMXHLLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-22-16-10-15(18-13-19-16)21-4-2-17(3-5-21)11-14(12-17)20-6-8-23-9-7-20/h10,13-14H,2-9,11-12H2,1H3.
What are the key properties of 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine?
4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine has a molecular weight of 318.42 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine is sourced from PubChem (CID 97451181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).