2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine

C13H12ClFN2O — CID 79079530

IUPAC2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1ccc(-c2nc(Cl)ncc2F)cc1
InChIInChI=1S/C13H12ClFN2O/c1-8(2)18-10-5-3-9(4-6-10)12-11(15)7-16-13(14)17-12/h3-8H,1-2H3
InChIKeyQRZWSHBLLITULM-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.72
Rot. Bonds3

About 2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine

2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine (PubChem CID 79079530) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine
PubChem CID79079530
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1ccc(-c2nc(Cl)ncc2F)cc1
InChIInChI=1S/C13H12ClFN2O/c1-8(2)18-10-5-3-9(4-6-10)12-11(15)7-16-13(14)17-12/h3-8H,1-2H3
InChIKeyQRZWSHBLLITULM-UHFFFAOYSA-N
XLogP3.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine (CID 79079530) is 2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine is CC(C)Oc1ccc(-c2nc(Cl)ncc2F)cc1.
What is the InChIKey of 2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine?
The InChIKey is QRZWSHBLLITULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8(2)18-10-5-3-9(4-6-10)12-11(15)7-16-13(14)17-12/h3-8H,1-2H3.
What are the key properties of 2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine?
2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine has a molecular weight of 266.70 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine is sourced from PubChem (CID 79079530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).