3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C19H19N5O5 — CID 24584609

IUPAC3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCn1c(N)c(C(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)c(=O)n(C)c1=O
InChIInChI=1S/C19H19N5O5/c1-22-14(20)13(15(26)23(2)18(22)29)12(25)9-24-16(27)19(21-17(24)28)8-7-10-5-3-4-6-11(10)19/h3-6H,7-9,20H2,1-2H3,(H,21,28)
InChIKeyUPBUSGRYFSRALV-UHFFFAOYSA-N
MW397.39 g/mol
LogP-0.76
Rot. Bonds3

About 3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 24584609) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is 3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID24584609
Molecular FormulaC19H19N5O5
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCn1c(N)c(C(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)c(=O)n(C)c1=O
InChIInChI=1S/C19H19N5O5/c1-22-14(20)13(15(26)23(2)18(22)29)12(25)9-24-16(27)19(21-17(24)28)8-7-10-5-3-4-6-11(10)19/h3-6H,7-9,20H2,1-2H3,(H,21,28)
InChIKeyUPBUSGRYFSRALV-UHFFFAOYSA-N
XLogP-0.76
TPSA136.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18775236
ethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 4679778
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 4790868
3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18097549
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 49169528
6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4827206
(4S)-3'-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2087641
(4R)-3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 8005569
3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 3582932
tert-butyl 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetate
CID 40857312
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 55456781

Frequently Asked Questions

What is the IUPAC name of 3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 24584609) is 3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is Cn1c(N)c(C(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)c(=O)n(C)c1=O.
What is the InChIKey of 3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is UPBUSGRYFSRALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5/c1-22-14(20)13(15(26)23(2)18(22)29)12(25)9-24-16(27)19(21-17(24)28)8-7-10-5-3-4-6-11(10)19/h3-6H,7-9,20H2,1-2H3,(H,21,28).
What are the key properties of 3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 397.39 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 24584609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).