6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C16H20N6O4 — CID 127661265

IUPAC6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCC1(c2cnn(C)c2)NC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O
InChIInChI=1S/C16H20N6O4/c1-5-16(10-7-17-19(2)8-10)13(24)22(14(25)18-16)9-11-6-12(23)21(4)15(26)20(11)3/h6-8H,5,9H2,1-4H3,(H,18,25)
InChIKeyIUVHSYCJAIFMSS-UHFFFAOYSA-N
MW360.37 g/mol
LogP-0.83
Rot. Bonds4

About 6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 127661265) has the molecular formula C16H20N6O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID127661265
Molecular FormulaC16H20N6O4
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC Name6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCC1(c2cnn(C)c2)NC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O
InChIInChI=1S/C16H20N6O4/c1-5-16(10-7-17-19(2)8-10)13(24)22(14(25)18-16)9-11-6-12(23)21(4)15(26)20(11)3/h6-8H,5,9H2,1-4H3,(H,18,25)
InChIKeyIUVHSYCJAIFMSS-UHFFFAOYSA-N
XLogP-0.83
TPSA111.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-[(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 17403045
(5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 97243668
(5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97229164
2-[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 75389689
3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 154737485
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
4-[[4-methyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoic acid
CID 132971291
(5S)-3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7242730
(5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 97253036
(5S)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 97253035
3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4832172
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 9060380

Frequently Asked Questions

What is the IUPAC name of 6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 127661265) is 6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is CCC1(c2cnn(C)c2)NC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O.
What is the InChIKey of 6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is IUVHSYCJAIFMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O4/c1-5-16(10-7-17-19(2)8-10)13(24)22(14(25)18-16)9-11-6-12(23)21(4)15(26)20(11)3/h6-8H,5,9H2,1-4H3,(H,18,25).
What are the key properties of 6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 360.37 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 127661265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).