5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine

C14H15FN2O — CID 90142190

IUPAC5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine
SMILESCOc1cc(C)c(-c2c(C)ncnc2C)cc1F
InChIInChI=1S/C14H15FN2O/c1-8-5-13(18-4)12(15)6-11(8)14-9(2)16-7-17-10(14)3/h5-7H,1-4H3
InChIKeyHWJGEINPVBMTLV-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.22
Rot. Bonds2

About 5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine

5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine (PubChem CID 90142190) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine
PubChem CID90142190
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine
SMILESCOc1cc(C)c(-c2c(C)ncnc2C)cc1F
InChIInChI=1S/C14H15FN2O/c1-8-5-13(18-4)12(15)6-11(8)14-9(2)16-7-17-10(14)3/h5-7H,1-4H3
InChIKeyHWJGEINPVBMTLV-UHFFFAOYSA-N
XLogP3.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine?
The IUPAC name of 5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine (CID 90142190) is 5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine?
The canonical SMILES for 5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine is COc1cc(C)c(-c2c(C)ncnc2C)cc1F.
What is the InChIKey of 5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine?
The InChIKey is HWJGEINPVBMTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-8-5-13(18-4)12(15)6-11(8)14-9(2)16-7-17-10(14)3/h5-7H,1-4H3.
What are the key properties of 5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine?
5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine has a molecular weight of 246.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 90142190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).