5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione

C18H16N4O3 — CID 2277286

IUPAC5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=N/c3ccccc3N)c(=O)[nH]c2=O)c1
InChIInChI=1S/C18H16N4O3/c1-11-5-4-6-12(9-11)22-17(24)13(16(23)21-18(22)25)10-20-15-8-3-2-7-14(15)19/h2-10,24H,19H2,1H3,(H,21,23,25)/b20-10+
InChIKeyGLNCCUDXHFCGEX-KEBDBYFISA-N
MW336.35 g/mol
LogP1.87
Rot. Bonds3

About 5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione

5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione (PubChem CID 2277286) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione
PubChem CID2277286
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=N/c3ccccc3N)c(=O)[nH]c2=O)c1
InChIInChI=1S/C18H16N4O3/c1-11-5-4-6-12(9-11)22-17(24)13(16(23)21-18(22)25)10-20-15-8-3-2-7-14(15)19/h2-10,24H,19H2,1H3,(H,21,23,25)/b20-10+
InChIKeyGLNCCUDXHFCGEX-KEBDBYFISA-N
XLogP1.87
TPSA113.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione (CID 2277286) is 5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione is Cc1cccc(-n2c(O)c(/C=N/c3ccccc3N)c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is GLNCCUDXHFCGEX-KEBDBYFISA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11-5-4-6-12(9-11)22-17(24)13(16(23)21-18(22)25)10-20-15-8-3-2-7-14(15)19/h2-10,24H,19H2,1H3,(H,21,23,25)/b20-10+.
What are the key properties of 5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione?
5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 336.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminophenyl)iminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2277286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).