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

C19H17N3O5 — CID 2844605

IUPAC6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(-c3cccc(OC)c3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H17N3O5/c1-26-14-8-6-12(7-9-14)20-11-16-17(23)21-19(25)22(18(16)24)13-4-3-5-15(10-13)27-2/h3-11,24H,1-2H3,(H,21,23,25)/b20-11+
InChIKeyKQGOPUWDJAKOHB-RGVLZGJSSA-N
MW367.36 g/mol
LogP2.00
Rot. Bonds5

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

6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 2844605) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID2844605
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(-c3cccc(OC)c3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H17N3O5/c1-26-14-8-6-12(7-9-14)20-11-16-17(23)21-19(25)22(18(16)24)13-4-3-5-15(10-13)27-2/h3-11,24H,1-2H3,(H,21,23,25)/b20-11+
InChIKeyKQGOPUWDJAKOHB-RGVLZGJSSA-N
XLogP2.00
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
(5E)-1-(3-methoxyphenyl)-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
CID 1877351
5-{[(4-Methoxyphenyl)amino]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 2288258
(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)-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
(5E)-5-[[4-(diethylamino)anilino]methylidene]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 3751094
1-Tert-butyl-5-[(4-ethoxyanilino)methylidene]-1,3-diazinane-2,4,6-trione
CID 3821583
(5Z)-3-(3,5-dimethylphenyl)-5-{[(4-ethoxyphenyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3823792
5-[(4-methoxyanilino)methylene]-1-(tetrahydro-2-furanylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 135401406

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione (CID 2844605) is 6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione is COc1ccc(/N=C/c2c(O)n(-c3cccc(OC)c3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is KQGOPUWDJAKOHB-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-26-14-8-6-12(7-9-14)20-11-16-17(23)21-19(25)22(18(16)24)13-4-3-5-15(10-13)27-2/h3-11,24H,1-2H3,(H,21,23,25)/b20-11+.
What are the key properties of 6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 367.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2844605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).