4-chloro-5-iodo-6-propan-2-ylpyrimidine

C7H8ClIN2 — CID 11471590

IUPAC4-chloro-5-iodo-6-propan-2-ylpyrimidine
SMILESCC(C)c1ncnc(Cl)c1I
InChIInChI=1S/C7H8ClIN2/c1-4(2)6-5(9)7(8)11-3-10-6/h3-4H,1-2H3
InChIKeyMMKVPFHYOGODGG-UHFFFAOYSA-N
MW282.51 g/mol
LogP2.86
Rot. Bonds1

About 4-chloro-5-iodo-6-propan-2-ylpyrimidine

4-chloro-5-iodo-6-propan-2-ylpyrimidine (PubChem CID 11471590) has the molecular formula C7H8ClIN2 and a molecular weight of 282.51 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-propan-2-ylpyrimidine
PubChem CID11471590
Molecular FormulaC7H8ClIN2
Molecular Weight282.51 g/mol
Exact Mass281.94
IUPAC Name4-chloro-5-iodo-6-propan-2-ylpyrimidine
SMILESCC(C)c1ncnc(Cl)c1I
InChIInChI=1S/C7H8ClIN2/c1-4(2)6-5(9)7(8)11-3-10-6/h3-4H,1-2H3
InChIKeyMMKVPFHYOGODGG-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.51
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-5-iodo-6-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-propan-2-ylpyrimidine (CID 11471590) is 4-chloro-5-iodo-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-propan-2-ylpyrimidine is CC(C)c1ncnc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-propan-2-ylpyrimidine?
The InChIKey is MMKVPFHYOGODGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClIN2/c1-4(2)6-5(9)7(8)11-3-10-6/h3-4H,1-2H3.
What are the key properties of 4-chloro-5-iodo-6-propan-2-ylpyrimidine?
4-chloro-5-iodo-6-propan-2-ylpyrimidine has a molecular weight of 282.51 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-6-propan-2-ylpyrimidine is sourced from PubChem (CID 11471590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).