4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine

C12H11FN2O — CID 22937801

IUPAC4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine
SMILESCc1nccc(OCc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2O/c1-9-14-7-6-12(15-9)16-8-10-2-4-11(13)5-3-10/h2-7H,8H2,1H3
InChIKeyRRXRIRQTWJOMLP-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.50
Rot. Bonds3

About 4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine

4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine (PubChem CID 22937801) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine
PubChem CID22937801
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine
SMILESCc1nccc(OCc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2O/c1-9-14-7-6-12(15-9)16-8-10-2-4-11(13)5-3-10/h2-7H,8H2,1H3
InChIKeyRRXRIRQTWJOMLP-UHFFFAOYSA-N
XLogP2.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine (CID 22937801) is 4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine is Cc1nccc(OCc2ccc(F)cc2)n1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine?
The InChIKey is RRXRIRQTWJOMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-9-14-7-6-12(15-9)16-8-10-2-4-11(13)5-3-10/h2-7H,8H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine?
4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine has a molecular weight of 218.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-2-methylpyrimidine is sourced from PubChem (CID 22937801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).