1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea

C20H17ClN4O4 — CID 137070654

IUPAC1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)N=Cc2c(O)n(-c3ccccc3Cl)c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C20H17ClN4O4/c1-11-7-8-15(12(2)9-11)23-19(28)22-10-13-17(26)24-20(29)25(18(13)27)16-6-4-3-5-14(16)21/h3-10,27H,1-2H3,(H,23,28)(H,24,26,29)
InChIKeyZEBTWCPDQQQCMN-UHFFFAOYSA-N
MW412.83 g/mol
LogP3.15
Rot. Bonds3

About 1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea

1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea (PubChem CID 137070654) has the molecular formula C20H17ClN4O4 and a molecular weight of 412.83 g/mol. Its IUPAC name is 1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea
PubChem CID137070654
Molecular FormulaC20H17ClN4O4
Molecular Weight412.83 g/mol
Exact Mass412.09
IUPAC Name1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)N=Cc2c(O)n(-c3ccccc3Cl)c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C20H17ClN4O4/c1-11-7-8-15(12(2)9-11)23-19(28)22-10-13-17(26)24-20(29)25(18(13)27)16-6-4-3-5-14(16)21/h3-10,27H,1-2H3,(H,23,28)(H,24,26,29)
InChIKeyZEBTWCPDQQQCMN-UHFFFAOYSA-N
XLogP3.15
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.83
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-3-[[1-(2,4-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]urea
CID 137070741
1-(2-bromo-4,5-dimethylphenyl)-3-[[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]methylidene]urea
CID 137070149
1-(2-chlorophenyl)-5-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxypyrimidine-2,4-dione
CID 137073853
1-(4-bromophenyl)-3-[[1-(2,5-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]urea
CID 137073488
[(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
CID 135717075
1-[[1-(4-bromo-2,5-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(4-methylphenyl)urea
CID 137073957
1-(2-chlorophenyl)-6-hydroxy-5-[(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione
CID 4288914
2-chloro-N-[[6-hydroxy-2,4-dioxo-1-(2,4,6-trimethylphenyl)pyrimidin-5-yl]methylideneamino]benzamide
CID 137070211
(E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide
CID 137070402
1-(2,4-dimethylphenyl)-5-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxypyrimidine-2,4-dione
CID 135607276
2-chloro-N-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 2024283
6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
CID 136704981

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea (CID 137070654) is 1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)N=Cc2c(O)n(-c3ccccc3Cl)c(=O)[nH]c2=O)c(C)c1.
What is the InChIKey of 1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea?
The InChIKey is ZEBTWCPDQQQCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O4/c1-11-7-8-15(12(2)9-11)23-19(28)22-10-13-17(26)24-20(29)25(18(13)27)16-6-4-3-5-14(16)21/h3-10,27H,1-2H3,(H,23,28)(H,24,26,29).
What are the key properties of 1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea?
1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea has a molecular weight of 412.83 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 137070654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).