6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione

C12H11IN2O3 — CID 114258109

IUPAC6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione
SMILESCc1c(I)cccc1-n1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H11IN2O3/c1-6-8(13)4-3-5-9(6)15-11(17)7(2)10(16)14-12(15)18/h3-5,17H,1-2H3,(H,14,16,18)
InChIKeyFOEYYRJRFNUSPP-UHFFFAOYSA-N
MW358.14 g/mol
LogP1.45
Rot. Bonds1

About 6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione

6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione (PubChem CID 114258109) has the molecular formula C12H11IN2O3 and a molecular weight of 358.14 g/mol. Its IUPAC name is 6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione
PubChem CID114258109
Molecular FormulaC12H11IN2O3
Molecular Weight358.14 g/mol
Exact Mass357.98
IUPAC Name6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione
SMILESCc1c(I)cccc1-n1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H11IN2O3/c1-6-8(13)4-3-5-9(6)15-11(17)7(2)10(16)14-12(15)18/h3-5,17H,1-2H3,(H,14,16,18)
InChIKeyFOEYYRJRFNUSPP-UHFFFAOYSA-N
XLogP1.45
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.14
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598193
1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598309
6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 112598911
1-(2,3-dimethylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598553
1-(2-chloro-4-fluorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598213
1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598557
1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600514
1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598629
1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598854
1-[3-(dimethylamino)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112601410
6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
CID 112600489
6-hydroxy-5-methyl-1-naphthalen-2-ylpyrimidine-2,4-dione
CID 115947092

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione (CID 114258109) is 6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione is Cc1c(I)cccc1-n1c(O)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is FOEYYRJRFNUSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O3/c1-6-8(13)4-3-5-9(6)15-11(17)7(2)10(16)14-12(15)18/h3-5,17H,1-2H3,(H,14,16,18).
What are the key properties of 6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione?
6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 358.14 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 114258109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).