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

C19H16FN3O5 — CID 2844551

IUPAC5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCOc1cc(/N=C/c2c(O)n(-c3ccccc3F)c(=O)[nH]c2=O)cc(OC)c1
InChIInChI=1S/C19H16FN3O5/c1-27-12-7-11(8-13(9-12)28-2)21-10-14-17(24)22-19(26)23(18(14)25)16-6-4-3-5-15(16)20/h3-10,25H,1-2H3,(H,22,24,26)/b21-10+
InChIKeyWVALNNIVFVUOKM-UFFVCSGVSA-N
MW385.35 g/mol
LogP2.14
Rot. Bonds5

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

5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 2844551) has the molecular formula C19H16FN3O5 and a molecular weight of 385.35 g/mol. Its IUPAC name is 5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID2844551
Molecular FormulaC19H16FN3O5
Molecular Weight385.35 g/mol
Exact Mass385.11
IUPAC Name5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCOc1cc(/N=C/c2c(O)n(-c3ccccc3F)c(=O)[nH]c2=O)cc(OC)c1
InChIInChI=1S/C19H16FN3O5/c1-27-12-7-11(8-13(9-12)28-2)21-10-14-17(24)22-19(26)23(18(14)25)16-6-4-3-5-15(16)20/h3-10,25H,1-2H3,(H,22,24,26)/b21-10+
InChIKeyWVALNNIVFVUOKM-UFFVCSGVSA-N
XLogP2.14
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (CID 2844551) is 5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is COc1cc(/N=C/c2c(O)n(-c3ccccc3F)c(=O)[nH]c2=O)cc(OC)c1.
What is the InChIKey of 5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is WVALNNIVFVUOKM-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H16FN3O5/c1-27-12-7-11(8-13(9-12)28-2)21-10-14-17(24)22-19(26)23(18(14)25)16-6-4-3-5-15(16)20/h3-10,25H,1-2H3,(H,22,24,26)/b21-10+.
What are the key properties of 5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 385.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethoxyphenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 2844551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).