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

C20H18FN3O3 — CID 1389049

IUPAC1-(3,4-dimethylphenyl)-5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/Cc3ccc(F)cc3)c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C20H18FN3O3/c1-12-3-8-16(9-13(12)2)24-19(26)17(18(25)23-20(24)27)11-22-10-14-4-6-15(21)7-5-14/h3-9,11,26H,10H2,1-2H3,(H,23,25,27)/b22-11+
InChIKeyGBSFSYZJEZHWMK-SSDVNMTOSA-N
MW367.38 g/mol
LogP2.61
Rot. Bonds4

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

1-(3,4-dimethylphenyl)-5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 1389049) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID1389049
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name1-(3,4-dimethylphenyl)-5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/Cc3ccc(F)cc3)c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C20H18FN3O3/c1-12-3-8-16(9-13(12)2)24-19(26)17(18(25)23-20(24)27)11-22-10-14-4-6-15(21)7-5-14/h3-9,11,26H,10H2,1-2H3,(H,23,25,27)/b22-11+
InChIKeyGBSFSYZJEZHWMK-SSDVNMTOSA-N
XLogP2.61
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 1389049) is 1-(3,4-dimethylphenyl)-5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(/C=N/Cc3ccc(F)cc3)c(=O)[nH]c2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is GBSFSYZJEZHWMK-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-12-3-8-16(9-13(12)2)24-19(26)17(18(25)23-20(24)27)11-22-10-14-4-6-15(21)7-5-14/h3-9,11,26H,10H2,1-2H3,(H,23,25,27)/b22-11+.
What are the key properties of 1-(3,4-dimethylphenyl)-5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-(3,4-dimethylphenyl)-5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 367.38 g/mol, XLogP of 2.61, 4 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-[(4-fluorophenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 1389049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).