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

C13H12ClFN2 — CID 54978002

IUPAC4-chloro-2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine
SMILESCc1nc(Cc2ccccc2F)nc(Cl)c1C
InChIInChI=1S/C13H12ClFN2/c1-8-9(2)16-12(17-13(8)14)7-10-5-3-4-6-11(10)15/h3-6H,7H2,1-2H3
InChIKeyQDULFPUTCGHPHE-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.48
Rot. Bonds2

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

4-chloro-2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine (PubChem CID 54978002) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 4-chloro-2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine
PubChem CID54978002
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name4-chloro-2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine
SMILESCc1nc(Cc2ccccc2F)nc(Cl)c1C
InChIInChI=1S/C13H12ClFN2/c1-8-9(2)16-12(17-13(8)14)7-10-5-3-4-6-11(10)15/h3-6H,7H2,1-2H3
InChIKeyQDULFPUTCGHPHE-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-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine (CID 54978002) is 4-chloro-2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine is Cc1nc(Cc2ccccc2F)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
The InChIKey is QDULFPUTCGHPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-8-9(2)16-12(17-13(8)14)7-10-5-3-4-6-11(10)15/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
4-chloro-2-[(2-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-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 54978002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).