4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine

C14H14ClFN2O — CID 107657898

IUPAC4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Oc2cccc(C)c2F)n1
InChIInChI=1S/C14H14ClFN2O/c1-3-5-12-17-11(15)8-13(18-12)19-10-7-4-6-9(2)14(10)16/h4,6-8H,3,5H2,1-2H3
InChIKeyAQOVJYWJIRCQHF-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.32
Rot. Bonds4

About 4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine

4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine (PubChem CID 107657898) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine
PubChem CID107657898
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Oc2cccc(C)c2F)n1
InChIInChI=1S/C14H14ClFN2O/c1-3-5-12-17-11(15)8-13(18-12)19-10-7-4-6-9(2)14(10)16/h4,6-8H,3,5H2,1-2H3
InChIKeyAQOVJYWJIRCQHF-UHFFFAOYSA-N
XLogP4.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine (CID 107657898) is 4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine is CCCc1nc(Cl)cc(Oc2cccc(C)c2F)n1.
What is the InChIKey of 4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine?
The InChIKey is AQOVJYWJIRCQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-3-5-12-17-11(15)8-13(18-12)19-10-7-4-6-9(2)14(10)16/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine?
4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine has a molecular weight of 280.73 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine is sourced from PubChem (CID 107657898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).