4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine

C11H8ClIN2S — CID 66293487

IUPAC4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine
SMILESClc1nc(-c2ccsc2)nc(C2CC2)c1I
InChIInChI=1S/C11H8ClIN2S/c12-10-8(13)9(6-1-2-6)14-11(15-10)7-3-4-16-5-7/h3-6H,1-2H2
InChIKeyTZUMBXOJNOWKCX-UHFFFAOYSA-N
MW362.62 g/mol
LogP4.34
Rot. Bonds2

About 4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine

4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine (PubChem CID 66293487) has the molecular formula C11H8ClIN2S and a molecular weight of 362.62 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine
PubChem CID66293487
Molecular FormulaC11H8ClIN2S
Molecular Weight362.62 g/mol
Exact Mass361.91
IUPAC Name4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine
SMILESClc1nc(-c2ccsc2)nc(C2CC2)c1I
InChIInChI=1S/C11H8ClIN2S/c12-10-8(13)9(6-1-2-6)14-11(15-10)7-3-4-16-5-7/h3-6H,1-2H2
InChIKeyTZUMBXOJNOWKCX-UHFFFAOYSA-N
XLogP4.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.62
LogP ≤ 54.34
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-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine (CID 66293487) is 4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine is Clc1nc(-c2ccsc2)nc(C2CC2)c1I.
What is the InChIKey of 4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine?
The InChIKey is TZUMBXOJNOWKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClIN2S/c12-10-8(13)9(6-1-2-6)14-11(15-10)7-3-4-16-5-7/h3-6H,1-2H2.
What are the key properties of 4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine?
4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine has a molecular weight of 362.62 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine is sourced from PubChem (CID 66293487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).