5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

C16H16FN3O3 — CID 3466075

IUPAC5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(F)cc2)c(O)c1/C=N/C1CCCC1
InChIInChI=1S/C16H16FN3O3/c17-10-5-7-12(8-6-10)20-15(22)13(14(21)19-16(20)23)9-18-11-3-1-2-4-11/h5-9,11,22H,1-4H2,(H,19,21,23)/b18-9+
InChIKeyHXMCDGMONHURGH-GIJQJNRQSA-N
MW317.32 g/mol
LogP1.73
Rot. Bonds3

About 5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 3466075) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID3466075
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(F)cc2)c(O)c1/C=N/C1CCCC1
InChIInChI=1S/C16H16FN3O3/c17-10-5-7-12(8-6-10)20-15(22)13(14(21)19-16(20)23)9-18-11-3-1-2-4-11/h5-9,11,22H,1-4H2,(H,19,21,23)/b18-9+
InChIKeyHXMCDGMONHURGH-GIJQJNRQSA-N
XLogP1.73
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-Diethylamino-phenylamino)-methylene]-pyrimidine-2,4,6-trione
CID 352290
1-allyl-5-{[(4-fluorophenyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1908935
(5E)-5-[1-[4-(dimethylamino)anilino]propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 4529300
(5E)-1-(4-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135469945
(5Z)-5-(1H-indol-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
5-(Anilinomethylene)barbituric acid
CID 2250488
5-(Aminomethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 288290
(5Z)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-1,3-diazinane-2,4,6-trione
CID 662574
(E)-1-allyl-5-(1-((4-(dimethylamino)phenyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1405560
(5Z)-5-[[4-(diethylamino)anilino]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 1967839
(5E)-5-[[4-(diethylamino)anilino]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 3381553
(5Z)-3-(4-fluorophenyl)-5-[(heptylamino)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3818248

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (CID 3466075) is 5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc(F)cc2)c(O)c1/C=N/C1CCCC1.
What is the InChIKey of 5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is HXMCDGMONHURGH-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H16FN3O3/c17-10-5-7-12(8-6-10)20-15(22)13(14(21)19-16(20)23)9-18-11-3-1-2-4-11/h5-9,11,22H,1-4H2,(H,19,21,23)/b18-9+.
What are the key properties of 5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 317.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentyliminomethyl)-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3466075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).