1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione

C19H16FN3O3 — CID 1383258

IUPAC1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/c3cccc(F)c3)c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C19H16FN3O3/c1-11-6-7-15(8-12(11)2)23-18(25)16(17(24)22-19(23)26)10-21-14-5-3-4-13(20)9-14/h3-10,25H,1-2H3,(H,22,24,26)/b21-10+
InChIKeyZPQRDHQZJOWNFC-UFFVCSGVSA-N
MW353.35 g/mol
LogP2.74
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione

1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 1383258) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID1383258
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/c3cccc(F)c3)c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C19H16FN3O3/c1-11-6-7-15(8-12(11)2)23-18(25)16(17(24)22-19(23)26)10-21-14-5-3-4-13(20)9-14/h3-10,25H,1-2H3,(H,22,24,26)/b21-10+
InChIKeyZPQRDHQZJOWNFC-UFFVCSGVSA-N
XLogP2.74
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5E)-6-hydroxy-3-(3-methylphenyl)-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1947637
(5E)-1-(4-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135469945
3-cyclohexyl-6-[(3,4-dimethylphenyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 3237829
6-(3-Ethyl-4-methyl-phenylamino)-3-{5-[4-(4-fluoro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-pentyl}-1H-pyrimidine-2,4-dione
CID 10289026
(5Z)-5-(1H-indol-3-ylmethylidene)-1-(naphthalen-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135438774
(5Z)-5-(1H-indol-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
(5Z)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(naphthalen-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 658998
5-[[4-(Diethylamino)anilino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 659624
5-[3-(Diethylamino)propyliminomethyl]-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 665243
(5E)-5-{[(2-aminophenyl)amino]methylidene}-3-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1414869
(5Z)-5-({[2-(diethylamino)ethyl]amino}methylidene)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1607570
5-[(butylamino)methylene]-1-mesityl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2840327

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 1383258) is 1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(/C=N/c3cccc(F)c3)c(=O)[nH]c2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is ZPQRDHQZJOWNFC-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-11-6-7-15(8-12(11)2)23-18(25)16(17(24)22-19(23)26)10-21-14-5-3-4-13(20)9-14/h3-10,25H,1-2H3,(H,22,24,26)/b21-10+.
What are the key properties of 1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 353.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 1383258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).