4,6-diethyl-2-iodopyrimidine

C8H11IN2 — CID 130548955

IUPAC4,6-diethyl-2-iodopyrimidine
SMILESCCc1cc(CC)nc(I)n1
InChIInChI=1S/C8H11IN2/c1-3-6-5-7(4-2)11-8(9)10-6/h5H,3-4H2,1-2H3
InChIKeyTUZHIVBVVUXMBY-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.21
Rot. Bonds2

About 4,6-diethyl-2-iodopyrimidine

4,6-diethyl-2-iodopyrimidine (PubChem CID 130548955) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is 4,6-diethyl-2-iodopyrimidine.

Molecular Properties

Compound Name4,6-diethyl-2-iodopyrimidine
PubChem CID130548955
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name4,6-diethyl-2-iodopyrimidine
SMILESCCc1cc(CC)nc(I)n1
InChIInChI=1S/C8H11IN2/c1-3-6-5-7(4-2)11-8(9)10-6/h5H,3-4H2,1-2H3
InChIKeyTUZHIVBVVUXMBY-UHFFFAOYSA-N
XLogP2.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-diethyl-4-methylpyridine
CID 12595102
(2,6-diethyl-4-pyridinyl)methanamine
CID 139559204
4-bromo-2,6-diethylpyridine;hydrochloride
CID 127264197
(6-ethyl-2-methoxypyrimidin-4-yl)methanamine
CID 83851807
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
6-ethylpyridine-2,4-diamine
CID 23049385
4-ethenyl-2,6-diethylpyridine
CID 23503903
2,4-diethyl-6-methylpyrimidine
CID 45080276
2,6-diethyl-4-ethylsulfanylpyridine
CID 143252962
4-chloro-2,6-diethylpyrimidine
CID 43557605
5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 123636037
4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine
CID 70828603

Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-2-iodopyrimidine?
The IUPAC name of 4,6-diethyl-2-iodopyrimidine (CID 130548955) is 4,6-diethyl-2-iodopyrimidine.
What is the SMILES notation for 4,6-diethyl-2-iodopyrimidine?
The canonical SMILES for 4,6-diethyl-2-iodopyrimidine is CCc1cc(CC)nc(I)n1.
What is the InChIKey of 4,6-diethyl-2-iodopyrimidine?
The InChIKey is TUZHIVBVVUXMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2/c1-3-6-5-7(4-2)11-8(9)10-6/h5H,3-4H2,1-2H3.
What are the key properties of 4,6-diethyl-2-iodopyrimidine?
4,6-diethyl-2-iodopyrimidine has a molecular weight of 262.09 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-2-iodopyrimidine is sourced from PubChem (CID 130548955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).