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

C19H16IN3O3 — CID 135571552

IUPAC1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=N/c3ccc(I)cc3)c(=O)[nH]c2=O)c1C
InChIInChI=1S/C19H16IN3O3/c1-11-4-3-5-16(12(11)2)23-18(25)15(17(24)22-19(23)26)10-21-14-8-6-13(20)7-9-14/h3-10,25H,1-2H3,(H,22,24,26)/b21-10+
InChIKeyNXWGKHOPMCSZCW-UFFVCSGVSA-N
MW461.26 g/mol
LogP3.20
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 135571552) has the molecular formula C19H16IN3O3 and a molecular weight of 461.26 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID135571552
Molecular FormulaC19H16IN3O3
Molecular Weight461.26 g/mol
Exact Mass461.02
IUPAC Name1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=N/c3ccc(I)cc3)c(=O)[nH]c2=O)c1C
InChIInChI=1S/C19H16IN3O3/c1-11-4-3-5-16(12(11)2)23-18(25)15(17(24)22-19(23)26)10-21-14-8-6-13(20)7-9-14/h3-10,25H,1-2H3,(H,22,24,26)/b21-10+
InChIKeyNXWGKHOPMCSZCW-UFFVCSGVSA-N
XLogP3.20
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.26
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione (CID 135571552) is 1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione is Cc1cccc(-n2c(O)c(/C=N/c3ccc(I)cc3)c(=O)[nH]c2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is NXWGKHOPMCSZCW-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H16IN3O3/c1-11-4-3-5-16(12(11)2)23-18(25)15(17(24)22-19(23)26)10-21-14-8-6-13(20)7-9-14/h3-10,25H,1-2H3,(H,22,24,26)/b21-10+.
What are the key properties of 1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione?
1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 461.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135571552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).