4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine

C10H12ClF2IN2O — CID 103146724

IUPAC4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine
SMILESCCc1nc(CCOCC(F)F)nc(Cl)c1I
InChIInChI=1S/C10H12ClF2IN2O/c1-2-6-9(14)10(11)16-8(15-6)3-4-17-5-7(12)13/h7H,2-5H2,1H3
InChIKeyMZTHILQHVHIRQZ-UHFFFAOYSA-N
MW376.57 g/mol
LogP3.12
Rot. Bonds6

About 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine

4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine (PubChem CID 103146724) has the molecular formula C10H12ClF2IN2O and a molecular weight of 376.57 g/mol. Its IUPAC name is 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine
PubChem CID103146724
Molecular FormulaC10H12ClF2IN2O
Molecular Weight376.57 g/mol
Exact Mass375.97
IUPAC Name4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine
SMILESCCc1nc(CCOCC(F)F)nc(Cl)c1I
InChIInChI=1S/C10H12ClF2IN2O/c1-2-6-9(14)10(11)16-8(15-6)3-4-17-5-7(12)13/h7H,2-5H2,1H3
InChIKeyMZTHILQHVHIRQZ-UHFFFAOYSA-N
XLogP3.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine (CID 103146724) is 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine is CCc1nc(CCOCC(F)F)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine?
The InChIKey is MZTHILQHVHIRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2IN2O/c1-2-6-9(14)10(11)16-8(15-6)3-4-17-5-7(12)13/h7H,2-5H2,1H3.
What are the key properties of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine?
4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine has a molecular weight of 376.57 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidine is sourced from PubChem (CID 103146724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).