4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine

C13H12ClFN2 — CID 54891099

IUPAC4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine
SMILESCc1nc(Cc2ccc(F)cc2)nc(Cl)c1C
InChIInChI=1S/C13H12ClFN2/c1-8-9(2)16-12(17-13(8)14)7-10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3
InChIKeyVNHZFXQPGLXPSI-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.48
Rot. Bonds2

About 4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine

4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine (PubChem CID 54891099) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine
PubChem CID54891099
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine
SMILESCc1nc(Cc2ccc(F)cc2)nc(Cl)c1C
InChIInChI=1S/C13H12ClFN2/c1-8-9(2)16-12(17-13(8)14)7-10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3
InChIKeyVNHZFXQPGLXPSI-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine (CID 54891099) is 4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine is Cc1nc(Cc2ccc(F)cc2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
The InChIKey is VNHZFXQPGLXPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-8-9(2)16-12(17-13(8)14)7-10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine has a molecular weight of 250.70 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 54891099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).