8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane

C16H23ClN4O2 — CID 90226435

IUPAC8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane
SMILESClc1cc(N2CCC3(CCOC3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H23ClN4O2/c17-13-11-14(19-15(18-13)21-6-9-22-10-7-21)20-4-1-16(2-5-20)3-8-23-12-16/h11H,1-10,12H2
InChIKeyPLXHHUHIDCALCI-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.97
Rot. Bonds2

About 8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane

8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 90226435) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID90226435
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane
SMILESClc1cc(N2CCC3(CCOC3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H23ClN4O2/c17-13-11-14(19-15(18-13)21-6-9-22-10-7-21)20-4-1-16(2-5-20)3-8-23-12-16/h11H,1-10,12H2
InChIKeyPLXHHUHIDCALCI-UHFFFAOYSA-N
XLogP1.97
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane (CID 90226435) is 8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane is Clc1cc(N2CCC3(CCOC3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is PLXHHUHIDCALCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c17-13-11-14(19-15(18-13)21-6-9-22-10-7-21)20-4-1-16(2-5-20)3-8-23-12-16/h11H,1-10,12H2.
What are the key properties of 8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane?
8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 338.84 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 90226435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).