5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine

C13H13FN2 — CID 67714731

IUPAC5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine
SMILESCc1ncnc(C)c1Cc1ccc(F)cc1
InChIInChI=1S/C13H13FN2/c1-9-13(10(2)16-8-15-9)7-11-3-5-12(14)6-4-11/h3-6,8H,7H2,1-2H3
InChIKeyLVZPLXPZEJQQFU-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.82
Rot. Bonds2

About 5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine

5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine (PubChem CID 67714731) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine
PubChem CID67714731
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine
SMILESCc1ncnc(C)c1Cc1ccc(F)cc1
InChIInChI=1S/C13H13FN2/c1-9-13(10(2)16-8-15-9)7-11-3-5-12(14)6-4-11/h3-6,8H,7H2,1-2H3
InChIKeyLVZPLXPZEJQQFU-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine (CID 67714731) is 5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine is Cc1ncnc(C)c1Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine?
The InChIKey is LVZPLXPZEJQQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-9-13(10(2)16-8-15-9)7-11-3-5-12(14)6-4-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine?
5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine has a molecular weight of 216.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 67714731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).