N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide

C17H20N4O4 — CID 137075354

IUPACN,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(/N=C/c2c(O)n(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H20N4O4/c1-4-21(5-2)15(23)11-6-8-12(9-7-11)18-10-13-14(22)19-17(25)20(3)16(13)24/h6-10,24H,4-5H2,1-3H3,(H,19,22,25)/b18-10+
InChIKeyLOPORNIGMNPASD-VCHYOVAHSA-N
MW344.37 g/mol
LogP1.01
Rot. Bonds5

About N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide

N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide (PubChem CID 137075354) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide
PubChem CID137075354
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(/N=C/c2c(O)n(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H20N4O4/c1-4-21(5-2)15(23)11-6-8-12(9-7-11)18-10-13-14(22)19-17(25)20(3)16(13)24/h6-10,24H,4-5H2,1-3H3,(H,19,22,25)/b18-10+
InChIKeyLOPORNIGMNPASD-VCHYOVAHSA-N
XLogP1.01
TPSA107.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.01
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

methyl 4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzoate
CID 2222899
4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]benzoate
CID 2303609
5-[(4-bromo-2-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 137070567
N-[(E)-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]pentanamide
CID 135498901
5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 3741391
1-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 1402559
ethyl 4-[(1-butan-2-yl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]benzoate
CID 3903802
5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 3750576
1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 137075008
1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione
CID 137074559
6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1-(2-methoxyethyl)-2-sulfanylidenepyrimidin-4-one
CID 166435355
1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 4647898

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide?
The IUPAC name of N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide (CID 137075354) is N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide?
The canonical SMILES for N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide is CCN(CC)C(=O)c1ccc(/N=C/c2c(O)n(C)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide?
The InChIKey is LOPORNIGMNPASD-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-4-21(5-2)15(23)11-6-8-12(9-7-11)18-10-13-14(22)19-17(25)20(3)16(13)24/h6-10,24H,4-5H2,1-3H3,(H,19,22,25)/b18-10+.
What are the key properties of N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide?
N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide has a molecular weight of 344.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide is sourced from PubChem (CID 137075354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).