2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C18H27N5O2 — CID 72927903

IUPAC2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1cc(N2CCC3(CCCNC3=O)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H27N5O2/c1-2-14-12-15(21-17(20-14)22-8-10-25-11-9-22)23-7-5-18(13-23)4-3-6-19-16(18)24/h12H,2-11,13H2,1H3,(H,19,24)
InChIKeyOIGXLNSZMRFWKH-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.98
Rot. Bonds3

About 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72927903) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72927903
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1cc(N2CCC3(CCCNC3=O)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H27N5O2/c1-2-14-12-15(21-17(20-14)22-8-10-25-11-9-22)23-7-5-18(13-23)4-3-6-19-16(18)24/h12H,2-11,13H2,1H3,(H,19,24)
InChIKeyOIGXLNSZMRFWKH-UHFFFAOYSA-N
XLogP0.98
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72927903) is 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is CCc1cc(N2CCC3(CCCNC3=O)C2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is OIGXLNSZMRFWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-2-14-12-15(21-17(20-14)22-8-10-25-11-9-22)23-7-5-18(13-23)4-3-6-19-16(18)24/h12H,2-11,13H2,1H3,(H,19,24).
What are the key properties of 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 345.45 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72927903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).