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

C19H16N4O6 — CID 137070827

IUPAC6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C=N/c3ccc([N+](=O)[O-])c(C)c3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H16N4O6/c1-11-9-12(3-8-16(11)23(27)28)20-10-15-17(24)21-19(26)22(18(15)25)13-4-6-14(29-2)7-5-13/h3-10,25H,1-2H3,(H,21,24,26)/b20-10+
InChIKeyXANFRLDWVFNRRK-KEBDBYFISA-N
MW396.36 g/mol
LogP2.21
Rot. Bonds5

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

6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 137070827) has the molecular formula C19H16N4O6 and a molecular weight of 396.36 g/mol. Its IUPAC name is 6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID137070827
Molecular FormulaC19H16N4O6
Molecular Weight396.36 g/mol
Exact Mass396.11
IUPAC Name6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C=N/c3ccc([N+](=O)[O-])c(C)c3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H16N4O6/c1-11-9-12(3-8-16(11)23(27)28)20-10-15-17(24)21-19(26)22(18(15)25)13-4-6-14(29-2)7-5-13/h3-10,25H,1-2H3,(H,21,24,26)/b20-10+
InChIKeyXANFRLDWVFNRRK-KEBDBYFISA-N
XLogP2.21
TPSA139.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844562
5-[(4-chloro-3-methoxyphenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 137070433
6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
CID 2879727
6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)iminomethyl]pyrimidine-2,4-dione
CID 135777513
2-[[5-[[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-2-methylphenyl]methyl]isoindole-1,3-dione
CID 137070315
6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 1379814
6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
CID 137073995
[4-[[1-(4-bromo-3-methylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-2-nitrophenyl] thiocyanate
CID 4672410
methyl 2-chloro-5-[[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
CID 135628478
6-hydroxy-5-[(3-methylphenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
CID 2840891
5-[(3-aminophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 1397372
1-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 1402559

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione (CID 137070827) is 6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione is COc1ccc(-n2c(O)c(/C=N/c3ccc([N+](=O)[O-])c(C)c3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is XANFRLDWVFNRRK-KEBDBYFISA-N. The full InChI is InChI=1S/C19H16N4O6/c1-11-9-12(3-8-16(11)23(27)28)20-10-15-17(24)21-19(26)22(18(15)25)13-4-6-14(29-2)7-5-13/h3-10,25H,1-2H3,(H,21,24,26)/b20-10+.
What are the key properties of 6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 396.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 137070827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).