(5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane

C18H28N4O3 — CID 97475458

IUPAC(5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane
SMILESCOc1cc(N2CC[C@]3(CCC[C@H](CN4CCOCC4)O3)C2)ncn1
InChIInChI=1S/C18H28N4O3/c1-23-17-11-16(19-14-20-17)22-6-5-18(13-22)4-2-3-15(25-18)12-21-7-9-24-10-8-21/h11,14-15H,2-10,12-13H2,1H3/t15-,18-/m1/s1
InChIKeyZXRLOWNTRJHCAH-CRAIPNDOSA-N
MW348.45 g/mol
LogP1.34
Rot. Bonds4

About (5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane

(5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane (PubChem CID 97475458) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane
PubChem CID97475458
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane
SMILESCOc1cc(N2CC[C@]3(CCC[C@H](CN4CCOCC4)O3)C2)ncn1
InChIInChI=1S/C18H28N4O3/c1-23-17-11-16(19-14-20-17)22-6-5-18(13-22)4-2-3-15(25-18)12-21-7-9-24-10-8-21/h11,14-15H,2-10,12-13H2,1H3/t15-,18-/m1/s1
InChIKeyZXRLOWNTRJHCAH-CRAIPNDOSA-N
XLogP1.34
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane?
The IUPAC name of (5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane (CID 97475458) is (5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for (5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for (5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane is COc1cc(N2CC[C@]3(CCC[C@H](CN4CCOCC4)O3)C2)ncn1.
What is the InChIKey of (5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane?
The InChIKey is ZXRLOWNTRJHCAH-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-23-17-11-16(19-14-20-17)22-6-5-18(13-22)4-2-3-15(25-18)12-21-7-9-24-10-8-21/h11,14-15H,2-10,12-13H2,1H3/t15-,18-/m1/s1.
What are the key properties of (5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane?
(5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane has a molecular weight of 348.45 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 97475458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).