4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine

C11H14ClIN2S — CID 66292048

IUPAC4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine
SMILESClc1nc(CSC2CCCCC2)ncc1I
InChIInChI=1S/C11H14ClIN2S/c12-11-9(13)6-14-10(15-11)7-16-8-4-2-1-3-5-8/h6,8H,1-5,7H2
InChIKeyHLEUFTGHFRJCKK-UHFFFAOYSA-N
MW368.67 g/mol
LogP4.30
Rot. Bonds3

About 4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine

4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine (PubChem CID 66292048) has the molecular formula C11H14ClIN2S and a molecular weight of 368.67 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine
PubChem CID66292048
Molecular FormulaC11H14ClIN2S
Molecular Weight368.67 g/mol
Exact Mass367.96
IUPAC Name4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine
SMILESClc1nc(CSC2CCCCC2)ncc1I
InChIInChI=1S/C11H14ClIN2S/c12-11-9(13)6-14-10(15-11)7-16-8-4-2-1-3-5-8/h6,8H,1-5,7H2
InChIKeyHLEUFTGHFRJCKK-UHFFFAOYSA-N
XLogP4.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.67
LogP ≤ 54.30
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-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine (CID 66292048) is 4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine is Clc1nc(CSC2CCCCC2)ncc1I.
What is the InChIKey of 4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine?
The InChIKey is HLEUFTGHFRJCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2S/c12-11-9(13)6-14-10(15-11)7-16-8-4-2-1-3-5-8/h6,8H,1-5,7H2.
What are the key properties of 4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine?
4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine has a molecular weight of 368.67 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidine is sourced from PubChem (CID 66292048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).