4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine

C13H11ClFIN2O — CID 66291830

IUPAC4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2ccc(C)c(F)c2)nc(Cl)c1I
InChIInChI=1S/C13H11ClFIN2O/c1-7-3-4-8(5-9(7)15)13-17-10(6-19-2)11(16)12(14)18-13/h3-5H,6H2,1-2H3
InChIKeyWVVMGJJSDXGWRM-UHFFFAOYSA-N
MW392.60 g/mol
LogP4.00
Rot. Bonds3

About 4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine

4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine (PubChem CID 66291830) has the molecular formula C13H11ClFIN2O and a molecular weight of 392.60 g/mol. Its IUPAC name is 4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
PubChem CID66291830
Molecular FormulaC13H11ClFIN2O
Molecular Weight392.60 g/mol
Exact Mass391.96
IUPAC Name4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2ccc(C)c(F)c2)nc(Cl)c1I
InChIInChI=1S/C13H11ClFIN2O/c1-7-3-4-8(5-9(7)15)13-17-10(6-19-2)11(16)12(14)18-13/h3-5H,6H2,1-2H3
InChIKeyWVVMGJJSDXGWRM-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.60
LogP ≤ 54.00
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-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine (CID 66291830) is 4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine is COCc1nc(-c2ccc(C)c(F)c2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine?
The InChIKey is WVVMGJJSDXGWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFIN2O/c1-7-3-4-8(5-9(7)15)13-17-10(6-19-2)11(16)12(14)18-13/h3-5H,6H2,1-2H3.
What are the key properties of 4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine?
4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine has a molecular weight of 392.60 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-fluoro-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 66291830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).