8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

C17H26N4O3 — CID 118738728

IUPAC8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1cc(N2CCC3(CC2)CC(N2CCOCC2)CO3)ncn1
InChIInChI=1S/C17H26N4O3/c1-22-16-10-15(18-13-19-16)21-4-2-17(3-5-21)11-14(12-24-17)20-6-8-23-9-7-20/h10,13-14H,2-9,11-12H2,1H3
InChIKeyPOIHCQHIGZICCN-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.95
Rot. Bonds3

About 8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118738728) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID118738728
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1cc(N2CCC3(CC2)CC(N2CCOCC2)CO3)ncn1
InChIInChI=1S/C17H26N4O3/c1-22-16-10-15(18-13-19-16)21-4-2-17(3-5-21)11-14(12-24-17)20-6-8-23-9-7-20/h10,13-14H,2-9,11-12H2,1H3
InChIKeyPOIHCQHIGZICCN-UHFFFAOYSA-N
XLogP0.95
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (CID 118738728) is 8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is COc1cc(N2CCC3(CC2)CC(N2CCOCC2)CO3)ncn1.
What is the InChIKey of 8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is POIHCQHIGZICCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-22-16-10-15(18-13-19-16)21-4-2-17(3-5-21)11-14(12-24-17)20-6-8-23-9-7-20/h10,13-14H,2-9,11-12H2,1H3.
What are the key properties of 8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 334.42 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118738728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).