4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine

C13H13ClIN3 — CID 104822846

IUPAC4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine
SMILESCCCc1nc(-c2ccc(C)nc2)nc(Cl)c1I
InChIInChI=1S/C13H13ClIN3/c1-3-4-10-11(15)12(14)18-13(17-10)9-6-5-8(2)16-7-9/h5-7H,3-4H2,1-2H3
InChIKeyGCXLLCIEZFJGAG-UHFFFAOYSA-N
MW373.63 g/mol
LogP4.06
Rot. Bonds3

About 4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine

4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine (PubChem CID 104822846) has the molecular formula C13H13ClIN3 and a molecular weight of 373.63 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine
PubChem CID104822846
Molecular FormulaC13H13ClIN3
Molecular Weight373.63 g/mol
Exact Mass372.98
IUPAC Name4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine
SMILESCCCc1nc(-c2ccc(C)nc2)nc(Cl)c1I
InChIInChI=1S/C13H13ClIN3/c1-3-4-10-11(15)12(14)18-13(17-10)9-6-5-8(2)16-7-9/h5-7H,3-4H2,1-2H3
InChIKeyGCXLLCIEZFJGAG-UHFFFAOYSA-N
XLogP4.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.63
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
CID 104823382
4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine
CID 113457185
4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine
CID 104822835
2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine
CID 81436468
4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66293774
4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine
CID 66292753
4-chloro-2-(2-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66294183
4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine
CID 66313802
2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305986
2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine
CID 114077143
N-ethyl-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
CID 104823324
4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine
CID 81312976

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine (CID 104822846) is 4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine is CCCc1nc(-c2ccc(C)nc2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine?
The InChIKey is GCXLLCIEZFJGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClIN3/c1-3-4-10-11(15)12(14)18-13(17-10)9-6-5-8(2)16-7-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine?
4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine has a molecular weight of 373.63 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine is sourced from PubChem (CID 104822846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).