5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

C17H24N4O4 — CID 70782871

IUPAC5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCN1CC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)CC1=O
InChIInChI=1S/C17H24N4O4/c1-3-20-11-17(9-14(20)23)4-6-21(7-5-17)13(22)8-12-10-18-16(25)19(2)15(12)24/h10H,3-9,11H2,1-2H3,(H,18,25)
InChIKeyUFVFSEYZOMMLKP-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.52
Rot. Bonds3

About 5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 70782871) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID70782871
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCN1CC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)CC1=O
InChIInChI=1S/C17H24N4O4/c1-3-20-11-17(9-14(20)23)4-6-21(7-5-17)13(22)8-12-10-18-16(25)19(2)15(12)24/h10H,3-9,11H2,1-2H3,(H,18,25)
InChIKeyUFVFSEYZOMMLKP-UHFFFAOYSA-N
XLogP-0.52
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 70782871) is 5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione is CCN1CC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)CC1=O.
What is the InChIKey of 5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is UFVFSEYZOMMLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-3-20-11-17(9-14(20)23)4-6-21(7-5-17)13(22)8-12-10-18-16(25)19(2)15(12)24/h10H,3-9,11H2,1-2H3,(H,18,25).
What are the key properties of 5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 348.40 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70782871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).