6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione

C12H10ClIN2O2 — CID 113404466

IUPAC6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)n(-c2ccc(I)cc2)c1=O
InChIInChI=1S/C12H10ClIN2O2/c1-2-9-10(13)15-12(18)16(11(9)17)8-5-3-7(14)4-6-8/h3-6H,2H2,1H3,(H,15,18)
InChIKeyOOCUAOCKVSPMDE-UHFFFAOYSA-N
MW376.58 g/mol
LogP2.35
Rot. Bonds2

About 6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione

6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione (PubChem CID 113404466) has the molecular formula C12H10ClIN2O2 and a molecular weight of 376.58 g/mol. Its IUPAC name is 6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione
PubChem CID113404466
Molecular FormulaC12H10ClIN2O2
Molecular Weight376.58 g/mol
Exact Mass375.95
IUPAC Name6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)n(-c2ccc(I)cc2)c1=O
InChIInChI=1S/C12H10ClIN2O2/c1-2-9-10(13)15-12(18)16(11(9)17)8-5-3-7(14)4-6-8/h3-6H,2H2,1H3,(H,15,18)
InChIKeyOOCUAOCKVSPMDE-UHFFFAOYSA-N
XLogP2.35
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione (CID 113404466) is 6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione is CCc1c(Cl)[nH]c(=O)n(-c2ccc(I)cc2)c1=O.
What is the InChIKey of 6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is OOCUAOCKVSPMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2O2/c1-2-9-10(13)15-12(18)16(11(9)17)8-5-3-7(14)4-6-8/h3-6H,2H2,1H3,(H,15,18).
What are the key properties of 6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione?
6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 376.58 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).