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

C14H14N4O4 — CID 3279876

IUPACN-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2c(O)n(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H14N4O4/c1-8(19)16-10-5-3-9(4-6-10)15-7-11-12(20)17-14(22)18(2)13(11)21/h3-7,21H,1-2H3,(H,16,19)(H,17,20,22)/b15-7+
InChIKeyREZFAAQAIBXARS-VIZOYTHASA-N
MW302.29 g/mol
LogP0.49
Rot. Bonds3

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

N-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide (PubChem CID 3279876) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide
PubChem CID3279876
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2c(O)n(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H14N4O4/c1-8(19)16-10-5-3-9(4-6-10)15-7-11-12(20)17-14(22)18(2)13(11)21/h3-7,21H,1-2H3,(H,16,19)(H,17,20,22)/b15-7+
InChIKeyREZFAAQAIBXARS-VIZOYTHASA-N
XLogP0.49
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
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
6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione
CID 135703589
N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide
CID 137075354
N-[4-[[6-hydroxy-1-(2-methylphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]phenyl]acetamide
CID 1389847
N-[4-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]phenyl]acetamide
CID 1397609
5-[(4-acetylphenyl)iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 137070532
N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 136996107
5-[(4-bromo-2-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 137070567
N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide
CID 137068987
1-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 1402559
N-[4-[(1-butyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylideneamino]phenyl]acetamide
CID 135653138
1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione
CID 135571552

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide (CID 3279876) is N-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C/c2c(O)n(C)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide?
The InChIKey is REZFAAQAIBXARS-VIZOYTHASA-N. The full InChI is InChI=1S/C14H14N4O4/c1-8(19)16-10-5-3-9(4-6-10)15-7-11-12(20)17-14(22)18(2)13(11)21/h3-7,21H,1-2H3,(H,16,19)(H,17,20,22)/b15-7+.
What are the key properties of N-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide?
N-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide has a molecular weight of 302.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 3279876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).