1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione

C17H16FN5O3 — CID 3377859

IUPAC1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=N/CCCn1ccnc1
InChIInChI=1S/C17H16FN5O3/c18-13-4-1-2-5-14(13)23-16(25)12(15(24)21-17(23)26)10-19-6-3-8-22-9-7-20-11-22/h1-2,4-5,7,9-11,25H,3,6,8H2,(H,21,24,26)/b19-10+
InChIKeyKIXHGMZOBFWLNB-VXLYETTFSA-N
MW357.35 g/mol
LogP1.08
Rot. Bonds6

About 1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione

1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione (PubChem CID 3377859) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
PubChem CID3377859
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=N/CCCn1ccnc1
InChIInChI=1S/C17H16FN5O3/c18-13-4-1-2-5-14(13)23-16(25)12(15(24)21-17(23)26)10-19-6-3-8-22-9-7-20-11-22/h1-2,4-5,7,9-11,25H,3,6,8H2,(H,21,24,26)/b19-10+
InChIKeyKIXHGMZOBFWLNB-VXLYETTFSA-N
XLogP1.08
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 3262107
1-(2-chlorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-2-sulfanylidenepyrimidin-4-one
CID 3785199
6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-phenyl-2-sulfanylidenepyrimidin-4-one
CID 3620739
1-[2-(4-fluorophenyl)ethyl]-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
CID 3835002
6-hydroxy-5-(3-hydroxypropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 2185365
5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
CID 3547283
5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1379774
N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 5131295
5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 3439445
8-[(2E)-2-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione
CID 135650823
2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 6225863
N-[(Z)-[1-(2-fluorophenyl)-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 137289259

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione (CID 3377859) is 1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=N/CCCn1ccnc1.
What is the InChIKey of 1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione?
The InChIKey is KIXHGMZOBFWLNB-VXLYETTFSA-N. The full InChI is InChI=1S/C17H16FN5O3/c18-13-4-1-2-5-14(13)23-16(25)12(15(24)21-17(23)26)10-19-6-3-8-22-9-7-20-11-22/h1-2,4-5,7,9-11,25H,3,6,8H2,(H,21,24,26)/b19-10+.
What are the key properties of 1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione?
1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione has a molecular weight of 357.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3377859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).