4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

C10H11ClF3IN2O2 — CID 103146729

IUPAC4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
SMILESCOCc1nc(CCOCC(F)(F)F)nc(Cl)c1I
InChIInChI=1S/C10H11ClF3IN2O2/c1-18-4-6-8(15)9(11)17-7(16-6)2-3-19-5-10(12,13)14/h2-5H2,1H3
InChIKeyPMQPIJVLCZRGQS-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.00
Rot. Bonds6

About 4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine (PubChem CID 103146729) has the molecular formula C10H11ClF3IN2O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
PubChem CID103146729
Molecular FormulaC10H11ClF3IN2O2
Molecular Weight410.56 g/mol
Exact Mass409.95
IUPAC Name4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
SMILESCOCc1nc(CCOCC(F)(F)F)nc(Cl)c1I
InChIInChI=1S/C10H11ClF3IN2O2/c1-18-4-6-8(15)9(11)17-7(16-6)2-3-19-5-10(12,13)14/h2-5H2,1H3
InChIKeyPMQPIJVLCZRGQS-UHFFFAOYSA-N
XLogP3.00
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine (CID 103146729) is 4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine is COCc1nc(CCOCC(F)(F)F)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The InChIKey is PMQPIJVLCZRGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3IN2O2/c1-18-4-6-8(15)9(11)17-7(16-6)2-3-19-5-10(12,13)14/h2-5H2,1H3.
What are the key properties of 4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
4-chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine has a molecular weight of 410.56 g/mol, XLogP of 3.00, 6 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-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine is sourced from PubChem (CID 103146729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).