4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine

C10H8ClIN2OS — CID 66294484

IUPAC4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine
SMILESCOCc1nc(-c2cccs2)nc(Cl)c1I
InChIInChI=1S/C10H8ClIN2OS/c1-15-5-6-8(12)9(11)14-10(13-6)7-3-2-4-16-7/h2-4H,5H2,1H3
InChIKeyAKGIBGRQNOCFIK-UHFFFAOYSA-N
MW366.61 g/mol
LogP3.61
Rot. Bonds3

About 4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine

4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine (PubChem CID 66294484) has the molecular formula C10H8ClIN2OS and a molecular weight of 366.61 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine
PubChem CID66294484
Molecular FormulaC10H8ClIN2OS
Molecular Weight366.61 g/mol
Exact Mass365.91
IUPAC Name4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine
SMILESCOCc1nc(-c2cccs2)nc(Cl)c1I
InChIInChI=1S/C10H8ClIN2OS/c1-15-5-6-8(12)9(11)14-10(13-6)7-3-2-4-16-7/h2-4H,5H2,1H3
InChIKeyAKGIBGRQNOCFIK-UHFFFAOYSA-N
XLogP3.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.61
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine (CID 66294484) is 4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine is COCc1nc(-c2cccs2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine?
The InChIKey is AKGIBGRQNOCFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIN2OS/c1-15-5-6-8(12)9(11)14-10(13-6)7-3-2-4-16-7/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine?
4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine has a molecular weight of 366.61 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine is sourced from PubChem (CID 66294484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).