2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine

C16H24ClIN2 — CID 66292595

IUPAC2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine
SMILESCCc1nc(C2CCC(C(C)(C)C)CC2)nc(Cl)c1I
InChIInChI=1S/C16H24ClIN2/c1-5-12-13(18)14(17)20-15(19-12)10-6-8-11(9-7-10)16(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyCCSQURICZCHEHY-UHFFFAOYSA-N
MW406.74 g/mol
LogP5.62
Rot. Bonds2

About 2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine

2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine (PubChem CID 66292595) has the molecular formula C16H24ClIN2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine
PubChem CID66292595
Molecular FormulaC16H24ClIN2
Molecular Weight406.74 g/mol
Exact Mass406.07
IUPAC Name2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine
SMILESCCc1nc(C2CCC(C(C)(C)C)CC2)nc(Cl)c1I
InChIInChI=1S/C16H24ClIN2/c1-5-12-13(18)14(17)20-15(19-12)10-6-8-11(9-7-10)16(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyCCSQURICZCHEHY-UHFFFAOYSA-N
XLogP5.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.74
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine (CID 66292595) is 2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine is CCc1nc(C2CCC(C(C)(C)C)CC2)nc(Cl)c1I.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine?
The InChIKey is CCSQURICZCHEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClIN2/c1-5-12-13(18)14(17)20-15(19-12)10-6-8-11(9-7-10)16(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine?
2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine has a molecular weight of 406.74 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine is sourced from PubChem (CID 66292595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).