6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione

C19H12N4O5 — CID 137065643

IUPAC6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(O)c1C=C1C=c2ccccc2=N1
InChIInChI=1S/C19H12N4O5/c24-17-15(10-12-9-11-3-1-2-4-16(11)20-12)18(25)22(19(26)21-17)13-5-7-14(8-6-13)23(27)28/h1-10,25H,(H,21,24,26)
InChIKeyQNXNINLPZVLYBL-UHFFFAOYSA-N
MW376.33 g/mol
LogP0.59
Rot. Bonds3

About 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione

6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione (PubChem CID 137065643) has the molecular formula C19H12N4O5 and a molecular weight of 376.33 g/mol. Its IUPAC name is 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione
PubChem CID137065643
Molecular FormulaC19H12N4O5
Molecular Weight376.33 g/mol
Exact Mass376.08
IUPAC Name6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(O)c1C=C1C=c2ccccc2=N1
InChIInChI=1S/C19H12N4O5/c24-17-15(10-12-9-11-3-1-2-4-16(11)20-12)18(25)22(19(26)21-17)13-5-7-14(8-6-13)23(27)28/h1-10,25H,(H,21,24,26)
InChIKeyQNXNINLPZVLYBL-UHFFFAOYSA-N
XLogP0.59
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 899947
6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 135614189
6-hydroxy-5-(indol-2-ylidenemethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 1375920
5-[(2,5-dimethylpyrrol-3-ylidene)methyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 939765
6-hydroxy-1-(4-methylphenyl)-5-[(E)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
CID 135469953
6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
CID 137073995
6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
CID 135481568
1-(4-chlorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 873272
6-hydroxy-5-[[5-(2-methyl-4-nitrophenyl)pyrrol-2-ylidene]methyl]-1-(4-phenoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 136623102
6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione
CID 135477983
5-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]iminomethyl]-1-(2-ethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 137070328
5-cyclopropyl-4-[(E)-(5-nitroindol-2-ylidene)methyl]-1,2-dihydropyrazol-3-one
CID 22059877

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione (CID 137065643) is 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(O)c1C=C1C=c2ccccc2=N1.
What is the InChIKey of 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione?
The InChIKey is QNXNINLPZVLYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O5/c24-17-15(10-12-9-11-3-1-2-4-16(11)20-12)18(25)22(19(26)21-17)13-5-7-14(8-6-13)23(27)28/h1-10,25H,(H,21,24,26).
What are the key properties of 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione?
6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione has a molecular weight of 376.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 137065643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).