8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H31N5O4 — CID 70726094

About 8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70726094) has the molecular formula C20H31N5O4 and a molecular weight of 405.50 g/mol. Its IUPAC name is 8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 70726094
• Molecular Formula: C20H31N5O4
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.24
• IUPAC Name: 8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CCc1ncc(C(=O)N2CCC3(CC2)CN(CCN(C)CCOC)C(=O)O3)cn1
• InChI: InChI=1S/C20H31N5O4/c1-4-17-21-13-16(14-22-17)18(26)24-7-5-20(6-8-24)15-25(19(27)29-20)10-9-23(2)11-12-28-3/h13-14H,4-12,15H2,1-3H3
• InChIKey: UAMUOEAADDBQRF-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 88.10 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70726094) is 8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCc1ncc(C(=O)N2CCC3(CC2)CN(CCN(C)CCOC)C(=O)O3)cn1.

What is the InChIKey of 8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is UAMUOEAADDBQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O4/c1-4-17-21-13-16(14-22-17)18(26)24-7-5-20(6-8-24)15-25(19(27)29-20)10-9-23(2)11-12-28-3/h13-14H,4-12,15H2,1-3H3.

What are the key properties of 8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 405.50 g/mol, XLogP of 1.04, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70726094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).