[(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea

C12H10ClN5O4 — CID 135717075

IUPAC[(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1c(O)n(-c2ccccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C12H10ClN5O4/c13-7-3-1-2-4-8(7)18-10(20)6(5-15-17-11(14)21)9(19)16-12(18)22/h1-5,20H,(H3,14,17,21)(H,16,19,22)/b15-5+
InChIKeyRPEOMKGEIHGQIV-PJQLUOCWSA-N
MW323.70 g/mol
LogP-0.11
Rot. Bonds3

About [(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea

[(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea (PubChem CID 135717075) has the molecular formula C12H10ClN5O4 and a molecular weight of 323.70 g/mol. Its IUPAC name is [(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
PubChem CID135717075
Molecular FormulaC12H10ClN5O4
Molecular Weight323.70 g/mol
Exact Mass323.04
IUPAC Name[(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1c(O)n(-c2ccccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C12H10ClN5O4/c13-7-3-1-2-4-8(7)18-10(20)6(5-15-17-11(14)21)9(19)16-12(18)22/h1-5,20H,(H3,14,17,21)(H,16,19,22)/b15-5+
InChIKeyRPEOMKGEIHGQIV-PJQLUOCWSA-N
XLogP-0.11
TPSA142.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.70
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide
CID 137070402
1-(2-chlorophenyl)-6-hydroxy-5-[(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione
CID 4288914
1-(2-chlorophenyl)-5-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxypyrimidine-2,4-dione
CID 137073853
2-chloro-N-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 2024283
N-[(E)-[1-(2-chlorophenyl)-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]pentanamide
CID 135493390
[(E)-[1-(3,4-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
CID 135822374
N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 5131295
N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-2-chlorobenzamide
CID 3372682
1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea
CID 137070654
[(E)-[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
CID 135821968
1-(2-chlorophenyl)-6-hydroxy-5-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]pyrimidine-2,4-dione
CID 135749674
2-chloro-N-[[6-hydroxy-2,4-dioxo-1-(2,4,6-trimethylphenyl)pyrimidin-5-yl]methylideneamino]benzamide
CID 137070211

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea?
The IUPAC name of [(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea (CID 135717075) is [(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea.
What is the SMILES notation for [(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea?
The canonical SMILES for [(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea is NC(=O)N/N=C/c1c(O)n(-c2ccccc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of [(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea?
The InChIKey is RPEOMKGEIHGQIV-PJQLUOCWSA-N. The full InChI is InChI=1S/C12H10ClN5O4/c13-7-3-1-2-4-8(7)18-10(20)6(5-15-17-11(14)21)9(19)16-12(18)22/h1-5,20H,(H3,14,17,21)(H,16,19,22)/b15-5+.
What are the key properties of [(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea?
[(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea has a molecular weight of 323.70 g/mol, XLogP of -0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea is sourced from PubChem (CID 135717075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).