1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione

C24H23BrN4O5 — CID 137074559

IUPAC1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione
SMILESCCc1cc(Br)ccc1-n1c(O)c(/C=N/c2ccc(C(=O)N3CCOCC3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H23BrN4O5/c1-2-15-13-17(25)5-8-20(15)29-23(32)19(21(30)27-24(29)33)14-26-18-6-3-16(4-7-18)22(31)28-9-11-34-12-10-28/h3-8,13-14,32H,2,9-12H2,1H3,(H,27,30,33)/b26-14+
InChIKeyQWJSQXCSLCYKMU-VULFUBBASA-N
MW527.38 g/mol
LogP2.78
Rot. Bonds5

About 1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione

1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione (PubChem CID 137074559) has the molecular formula C24H23BrN4O5 and a molecular weight of 527.38 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione
PubChem CID137074559
Molecular FormulaC24H23BrN4O5
Molecular Weight527.38 g/mol
Exact Mass526.09
IUPAC Name1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione
SMILESCCc1cc(Br)ccc1-n1c(O)c(/C=N/c2ccc(C(=O)N3CCOCC3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H23BrN4O5/c1-2-15-13-17(25)5-8-20(15)29-23(32)19(21(30)27-24(29)33)14-26-18-6-3-16(4-7-18)22(31)28-9-11-34-12-10-28/h3-8,13-14,32H,2,9-12H2,1H3,(H,27,30,33)/b26-14+
InChIKeyQWJSQXCSLCYKMU-VULFUBBASA-N
XLogP2.78
TPSA116.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(4-bromo-2-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoic acid
CID 137075405
1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137074733
1-(3-chlorophenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione
CID 135628500
3-[[1-(4-bromo-2-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-4-methylbenzoic acid
CID 137074723
1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 137073331
1-(4-bromo-2-methylphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 3312623
5-[(3-bromo-4-morpholin-4-ylphenyl)iminomethyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1330644
1-(4-bromo-2-ethylphenyl)-5-[(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 137073632
1-(4-bromophenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 4657995
1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 4647898
6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
CID 2878941
1-(4-bromo-2,3-dimethylphenyl)-5-[(3-chloro-4-methylphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 137070839

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione (CID 137074559) is 1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione is CCc1cc(Br)ccc1-n1c(O)c(/C=N/c2ccc(C(=O)N3CCOCC3)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
The InChIKey is QWJSQXCSLCYKMU-VULFUBBASA-N. The full InChI is InChI=1S/C24H23BrN4O5/c1-2-15-13-17(25)5-8-20(15)29-23(32)19(21(30)27-24(29)33)14-26-18-6-3-16(4-7-18)22(31)28-9-11-34-12-10-28/h3-8,13-14,32H,2,9-12H2,1H3,(H,27,30,33)/b26-14+.
What are the key properties of 1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione has a molecular weight of 527.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 137074559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).