5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione

C19H16FN3O4 — CID 1379793

IUPAC5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1cccc(-n2c(O)c(/C=N/Cc3ccccc3F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H16FN3O4/c1-27-14-7-4-6-13(9-14)23-18(25)15(17(24)22-19(23)26)11-21-10-12-5-2-3-8-16(12)20/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+
InChIKeyHBSZLNNWPXHBII-SRZZPIQSSA-N
MW369.35 g/mol
LogP2.00
Rot. Bonds5

About 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione

5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 1379793) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID1379793
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1cccc(-n2c(O)c(/C=N/Cc3ccccc3F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H16FN3O4/c1-27-14-7-4-6-13(9-14)23-18(25)15(17(24)22-19(23)26)11-21-10-12-5-2-3-8-16(12)20/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+
InChIKeyHBSZLNNWPXHBII-SRZZPIQSSA-N
XLogP2.00
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione (CID 1379793) is 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione is COc1cccc(-n2c(O)c(/C=N/Cc3ccccc3F)c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is HBSZLNNWPXHBII-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-27-14-7-4-6-13(9-14)23-18(25)15(17(24)22-19(23)26)11-21-10-12-5-2-3-8-16(12)20/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+.
What are the key properties of 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione?
5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 369.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 1379793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).