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

C20H28N4O4 — CID 72872280

IUPAC5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC(C)=CCN1CC2(CCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC2)CC1=O
InChIInChI=1S/C20H28N4O4/c1-14(2)4-7-23-13-20(10-16(23)25)5-8-22(9-6-20)17(26)12-24-11-15(3)18(27)21-19(24)28/h4,11H,5-10,12-13H2,1-3H3,(H,21,27,28)
InChIKeyNQAGEVMEJUULPG-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.65
Rot. Bonds4

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

5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 72872280) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID72872280
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC(C)=CCN1CC2(CCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC2)CC1=O
InChIInChI=1S/C20H28N4O4/c1-14(2)4-7-23-13-20(10-16(23)25)5-8-22(9-6-20)17(26)12-24-11-15(3)18(27)21-19(24)28/h4,11H,5-10,12-13H2,1-3H3,(H,21,27,28)
InChIKeyNQAGEVMEJUULPG-UHFFFAOYSA-N
XLogP0.65
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 139598835
5-methyl-1-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 72875718
5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione
CID 53299297
1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 126450682
5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 70783415
2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72849443
5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 157017676
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
1-[2-[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 91796498
5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione
CID 170510152
6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid
CID 72928045
2-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70740477

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 72872280) is 5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione is CC(C)=CCN1CC2(CCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC2)CC1=O.
What is the InChIKey of 5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is NQAGEVMEJUULPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-14(2)4-7-23-13-20(10-16(23)25)5-8-22(9-6-20)17(26)12-24-11-15(3)18(27)21-19(24)28/h4,11H,5-10,12-13H2,1-3H3,(H,21,27,28).
What are the key properties of 5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 388.47 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 72872280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).