6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione

C11H12N4O5 — CID 101179925

IUPAC6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione
SMILESCN1C(=O)N/C(=C\c2c(O)n(C)c(=O)n(C)c2=O)C1=O
InChIInChI=1S/C11H12N4O5/c1-13-9(18)6(12-10(13)19)4-5-7(16)14(2)11(20)15(3)8(5)17/h4,16H,1-3H3,(H,12,19)/b6-4-
InChIKeyAPBIHRMXRDQWCT-XQRVVYSFSA-N
MW280.24 g/mol
LogP-1.69
Rot. Bonds1

About 6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione (PubChem CID 101179925) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione
PubChem CID101179925
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC Name6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione
SMILESCN1C(=O)N/C(=C\c2c(O)n(C)c(=O)n(C)c2=O)C1=O
InChIInChI=1S/C11H12N4O5/c1-13-9(18)6(12-10(13)19)4-5-7(16)14(2)11(20)15(3)8(5)17/h4,16H,1-3H3,(H,12,19)/b6-4-
InChIKeyAPBIHRMXRDQWCT-XQRVVYSFSA-N
XLogP-1.69
TPSA113.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 19374978
(5Z)-5-[(2-fluorophenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 125493925
6-hydroxy-1,3-dimethyl-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrimidine-2,4-dione
CID 2294119
5-[(4,4-dihydroxy-2-oxo-1-oxa-4λ4-thiaspiro[4.5]decan-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 136656772
6-hydroxy-1,3-dimethyl-5-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione
CID 135883184
6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione
CID 136882512
6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4623736
(5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126201992
6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione
CID 11557464
(5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126200968
5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 2288283
ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate
CID 177199596

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione (CID 101179925) is 6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione is CN1C(=O)N/C(=C\c2c(O)n(C)c(=O)n(C)c2=O)C1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is APBIHRMXRDQWCT-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H12N4O5/c1-13-9(18)6(12-10(13)19)4-5-7(16)14(2)11(20)15(3)8(5)17/h4,16H,1-3H3,(H,12,19)/b6-4-.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 280.24 g/mol, XLogP of -1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 101179925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).