4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine

C12H11ClIN3 — CID 81312976

IUPAC4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine
SMILESCCc1nc(-c2ccc(C)cn2)nc(Cl)c1I
InChIInChI=1S/C12H11ClIN3/c1-3-8-10(14)11(13)17-12(16-8)9-5-4-7(2)6-15-9/h4-6H,3H2,1-2H3
InChIKeyIFFGOKKJKREXQZ-UHFFFAOYSA-N
MW359.60 g/mol
LogP3.67
Rot. Bonds2

About 4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine

4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine (PubChem CID 81312976) has the molecular formula C12H11ClIN3 and a molecular weight of 359.60 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine
PubChem CID81312976
Molecular FormulaC12H11ClIN3
Molecular Weight359.60 g/mol
Exact Mass358.97
IUPAC Name4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine
SMILESCCc1nc(-c2ccc(C)cn2)nc(Cl)c1I
InChIInChI=1S/C12H11ClIN3/c1-3-8-10(14)11(13)17-12(16-8)9-5-4-7(2)6-15-9/h4-6H,3H2,1-2H3
InChIKeyIFFGOKKJKREXQZ-UHFFFAOYSA-N
XLogP3.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 53.67
H-Bond Donors ≤ 50
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 4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine (CID 81312976) is 4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine is CCc1nc(-c2ccc(C)cn2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine?
The InChIKey is IFFGOKKJKREXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN3/c1-3-8-10(14)11(13)17-12(16-8)9-5-4-7(2)6-15-9/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine?
4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine has a molecular weight of 359.60 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 81312976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).