4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine

C13H11Cl2IN2 — CID 66292208

IUPAC4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(-c2ccccc2Cl)nc(Cl)c1I
InChIInChI=1S/C13H11Cl2IN2/c1-7(2)11-10(16)12(15)18-13(17-11)8-5-3-4-6-9(8)14/h3-7H,1-2H3
InChIKeyWHUODMUPWKJRHJ-UHFFFAOYSA-N
MW393.06 g/mol
LogP5.18
Rot. Bonds2

About 4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine

4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine (PubChem CID 66292208) has the molecular formula C13H11Cl2IN2 and a molecular weight of 393.06 g/mol. Its IUPAC name is 4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine
PubChem CID66292208
Molecular FormulaC13H11Cl2IN2
Molecular Weight393.06 g/mol
Exact Mass391.93
IUPAC Name4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(-c2ccccc2Cl)nc(Cl)c1I
InChIInChI=1S/C13H11Cl2IN2/c1-7(2)11-10(16)12(15)18-13(17-11)8-5-3-4-6-9(8)14/h3-7H,1-2H3
InChIKeyWHUODMUPWKJRHJ-UHFFFAOYSA-N
XLogP5.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.06
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine (CID 66292208) is 4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine is CC(C)c1nc(-c2ccccc2Cl)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine?
The InChIKey is WHUODMUPWKJRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2IN2/c1-7(2)11-10(16)12(15)18-13(17-11)8-5-3-4-6-9(8)14/h3-7H,1-2H3.
What are the key properties of 4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine?
4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine has a molecular weight of 393.06 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine is sourced from PubChem (CID 66292208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).