4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine

C12H14ClIN4 — CID 66311677

IUPAC4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine
SMILESCCCn1cncc1-c1nc(Cl)c(I)c(CC)n1
InChIInChI=1S/C12H14ClIN4/c1-3-5-18-7-15-6-9(18)12-16-8(4-2)10(14)11(13)17-12/h6-7H,3-5H2,1-2H3
InChIKeyVSJGBEJOIJSFLY-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.57
Rot. Bonds4

About 4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine

4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine (PubChem CID 66311677) has the molecular formula C12H14ClIN4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine
PubChem CID66311677
Molecular FormulaC12H14ClIN4
Molecular Weight376.63 g/mol
Exact Mass376.00
IUPAC Name4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine
SMILESCCCn1cncc1-c1nc(Cl)c(I)c(CC)n1
InChIInChI=1S/C12H14ClIN4/c1-3-5-18-7-15-6-9(18)12-16-8(4-2)10(14)11(13)17-12/h6-7H,3-5H2,1-2H3
InChIKeyVSJGBEJOIJSFLY-UHFFFAOYSA-N
XLogP3.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine
CID 66141277
5-bromo-4-chloro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine
CID 66314171
4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine
CID 66312804
5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine
CID 66312839
4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine
CID 66140877
4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 112670237
6-ethyl-N-propyl-2-(3-propylimidazol-4-yl)pyrimidin-4-amine
CID 66141084
4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
CID 66130304
4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine
CID 81312976
4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol
CID 158520945
5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole
CID 80646038
6-ethyl-2-(3-ethylimidazol-4-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 66132810

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine (CID 66311677) is 4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine is CCCn1cncc1-c1nc(Cl)c(I)c(CC)n1.
What is the InChIKey of 4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine?
The InChIKey is VSJGBEJOIJSFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN4/c1-3-5-18-7-15-6-9(18)12-16-8(4-2)10(14)11(13)17-12/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine?
4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine has a molecular weight of 376.63 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 66311677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).