1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione

C18H13ClFN3O3 — CID 1305981

IUPAC1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2Cl)c(O)c1/C=N/c1ccc(F)cc1
InChIInChI=1S/C18H13ClFN3O3/c19-15-4-2-1-3-11(15)10-23-17(25)14(16(24)22-18(23)26)9-21-13-7-5-12(20)6-8-13/h1-9,25H,10H2,(H,22,24,26)/b21-9+
InChIKeyHTRMEDBMDPEFHK-ZVBGSRNCSA-N
MW373.77 g/mol
LogP2.83
Rot. Bonds4

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

1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 1305981) has the molecular formula C18H13ClFN3O3 and a molecular weight of 373.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID1305981
Molecular FormulaC18H13ClFN3O3
Molecular Weight373.77 g/mol
Exact Mass373.06
IUPAC Name1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2Cl)c(O)c1/C=N/c1ccc(F)cc1
InChIInChI=1S/C18H13ClFN3O3/c19-15-4-2-1-3-11(15)10-23-17(25)14(16(24)22-18(23)26)9-21-13-7-5-12(20)6-8-13/h1-9,25H,10H2,(H,22,24,26)/b21-9+
InChIKeyHTRMEDBMDPEFHK-ZVBGSRNCSA-N
XLogP2.83
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 52.83
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-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 1305981) is 1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2Cl)c(O)c1/C=N/c1ccc(F)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is HTRMEDBMDPEFHK-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H13ClFN3O3/c19-15-4-2-1-3-11(15)10-23-17(25)14(16(24)22-18(23)26)9-21-13-7-5-12(20)6-8-13/h1-9,25H,10H2,(H,22,24,26)/b21-9+.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 373.77 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 1305981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).