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

C19H16FN3O4 — CID 1379785

IUPAC5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C=N/Cc3ccc(F)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H16FN3O4/c1-27-15-8-6-14(7-9-15)23-18(25)16(17(24)22-19(23)26)11-21-10-12-2-4-13(20)5-3-12/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+
InChIKeyWXKROWCTQZYBBA-SRZZPIQSSA-N
MW369.35 g/mol
LogP2.00
Rot. Bonds5

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

5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 1379785) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID1379785
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C=N/Cc3ccc(F)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H16FN3O4/c1-27-15-8-6-14(7-9-15)23-18(25)16(17(24)22-19(23)26)11-21-10-12-2-4-13(20)5-3-12/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+
InChIKeyWXKROWCTQZYBBA-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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Related Compounds

(5Z)-3-(3,4-dimethylphenyl)-5-{[(4-ethoxyphenyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1399126
(5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
CID 1995661
5-{[(4-Methoxyphenyl)amino]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 2288258
(Z)-1-benzyl-5-(((4-ethoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 3410008
(5Z)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
CID 3480949
(5Z)-5-[[4-(diethylamino)anilino]methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 659890
(5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[(2-fluorophenyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1383291
(5E)-5-[(cyclopropylamino)methylidene]-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
CID 1396359
(Z)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1967791
(5Z)-5-{[(4-methoxyphenyl)amino]methylidene}-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2244543
3-(4-Fluorobenzyl)-1-(4-methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 3418248
1-Tert-butyl-5-[(4-ethoxyanilino)methylidene]-1,3-diazinane-2,4,6-trione
CID 3821583

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CID 1379785) is 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is COc1ccc(-n2c(O)c(/C=N/Cc3ccc(F)cc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is WXKROWCTQZYBBA-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-27-15-8-6-14(7-9-15)23-18(25)16(17(24)22-19(23)26)11-21-10-12-2-4-13(20)5-3-12/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+.
What are the key properties of 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-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-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 1379785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).