2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine

C18H15FN2O — CID 95922321

IUPAC2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
SMILESCc1cc(OCc2ccccc2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H15FN2O/c1-13-11-17(22-12-14-5-3-2-4-6-14)21-18(20-13)15-7-9-16(19)10-8-15/h2-11H,12H2,1H3
InChIKeyWYUYHPQPELHTQA-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.17
Rot. Bonds4

About 2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine

2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine (PubChem CID 95922321) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
PubChem CID95922321
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
SMILESCc1cc(OCc2ccccc2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H15FN2O/c1-13-11-17(22-12-14-5-3-2-4-6-14)21-18(20-13)15-7-9-16(19)10-8-15/h2-11H,12H2,1H3
InChIKeyWYUYHPQPELHTQA-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine (CID 95922321) is 2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine is Cc1cc(OCc2ccccc2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine?
The InChIKey is WYUYHPQPELHTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-13-11-17(22-12-14-5-3-2-4-6-14)21-18(20-13)15-7-9-16(19)10-8-15/h2-11H,12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine?
2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine has a molecular weight of 294.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine is sourced from PubChem (CID 95922321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).