8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

C18H26N4O3 — CID 72907284

IUPAC8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)CC2)CC1=O
InChIInChI=1S/C18H26N4O3/c1-4-20-12-18(10-15(20)23)5-7-21(8-6-18)16(24)11-22-14(3)9-13(2)19-17(22)25/h9H,4-8,10-12H2,1-3H3
InChIKeyWWHVQFKCGVEDQQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.72
Rot. Bonds3

About 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72907284) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72907284
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)CC2)CC1=O
InChIInChI=1S/C18H26N4O3/c1-4-20-12-18(10-15(20)23)5-7-21(8-6-18)16(24)11-22-14(3)9-13(2)19-17(22)25/h9H,4-8,10-12H2,1-3H3
InChIKeyWWHVQFKCGVEDQQ-UHFFFAOYSA-N
XLogP0.72
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (CID 72907284) is 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)CC2)CC1=O.
What is the InChIKey of 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WWHVQFKCGVEDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-20-12-18(10-15(20)23)5-7-21(8-6-18)16(24)11-22-14(3)9-13(2)19-17(22)25/h9H,4-8,10-12H2,1-3H3.
What are the key properties of 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 346.43 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72907284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).