1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione

C25H23Br2N5O4 — CID 137073273

IUPAC1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCOc1cc(/N=C/c2c(O)n(-c3cc(C)c(Br)cc3C)c(=O)[nH]c2=O)ccc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C25H23Br2N5O4/c1-12-9-20(13(2)8-18(12)26)31-24(34)17(23(33)29-25(31)35)11-28-16-6-7-19(21(10-16)36-5)32-15(4)22(27)14(3)30-32/h6-11,34H,1-5H3,(H,29,33,35)/b28-11+
InChIKeyIVWBWLURHKWBBW-IPBVOBEMSA-N
MW617.30 g/mol
LogP4.93
Rot. Bonds5

About 1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione

1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 137073273) has the molecular formula C25H23Br2N5O4 and a molecular weight of 617.30 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID137073273
Molecular FormulaC25H23Br2N5O4
Molecular Weight617.30 g/mol
Exact Mass615.01
IUPAC Name1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCOc1cc(/N=C/c2c(O)n(-c3cc(C)c(Br)cc3C)c(=O)[nH]c2=O)ccc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C25H23Br2N5O4/c1-12-9-20(13(2)8-18(12)26)31-24(34)17(23(33)29-25(31)35)11-28-16-6-7-19(21(10-16)36-5)32-15(4)22(27)14(3)30-32/h6-11,34H,1-5H3,(H,29,33,35)/b28-11+
InChIKeyIVWBWLURHKWBBW-IPBVOBEMSA-N
XLogP4.93
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.30
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2,5-dimethylphenyl)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 137074225
1-(4-bromo-2,3-dimethylphenyl)-5-[(3-chloro-4-methylphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 137070839
1-(4-bromo-2-methylphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 3312623
5-[(4-bromo-3-methylphenyl)iminomethyl]-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
CID 137070493
1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 4647898
1-(4-bromo-3-methylphenyl)-6-hydroxy-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 4150796
4-[[1-(4-bromo-2,3-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-2-hydroxybenzoic acid
CID 137073754
1-[[1-(4-bromo-2,5-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(4-methylphenyl)urea
CID 137073957
5-[(4-chloro-3-methoxyphenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 137070433
6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 1377896
5-[[1-(4-bromo-3-methylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-2-chlorobenzoic acid
CID 137075011
4-[[1-(2,4-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-N-methylbenzenesulfonamide
CID 137073647

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 137073273) is 1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione is COc1cc(/N=C/c2c(O)n(-c3cc(C)c(Br)cc3C)c(=O)[nH]c2=O)ccc1-n1nc(C)c(Br)c1C.
What is the InChIKey of 1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is IVWBWLURHKWBBW-IPBVOBEMSA-N. The full InChI is InChI=1S/C25H23Br2N5O4/c1-12-9-20(13(2)8-18(12)26)31-24(34)17(23(33)29-25(31)35)11-28-16-6-7-19(21(10-16)36-5)32-15(4)22(27)14(3)30-32/h6-11,34H,1-5H3,(H,29,33,35)/b28-11+.
What are the key properties of 1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 617.30 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethylphenyl)-5-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 137073273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).