4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine

C11H17IN2 — CID 146553685

IUPAC4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine
SMILESCCc1ncnc(C(C)C)c1CCI
InChIInChI=1S/C11H17IN2/c1-4-10-9(5-6-12)11(8(2)3)14-7-13-10/h7-8H,4-6H2,1-3H3
InChIKeyUFXWHBOCQAYWKF-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.14
Rot. Bonds4

About 4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine

4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine (PubChem CID 146553685) has the molecular formula C11H17IN2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine
PubChem CID146553685
Molecular FormulaC11H17IN2
Molecular Weight304.18 g/mol
Exact Mass304.04
IUPAC Name4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine
SMILESCCc1ncnc(C(C)C)c1CCI
InChIInChI=1S/C11H17IN2/c1-4-10-9(5-6-12)11(8(2)3)14-7-13-10/h7-8H,4-6H2,1-3H3
InChIKeyUFXWHBOCQAYWKF-UHFFFAOYSA-N
XLogP3.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine (CID 146553685) is 4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine is CCc1ncnc(C(C)C)c1CCI.
What is the InChIKey of 4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine?
The InChIKey is UFXWHBOCQAYWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2/c1-4-10-9(5-6-12)11(8(2)3)14-7-13-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine?
4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine has a molecular weight of 304.18 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 146553685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).