4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine

C6H5Cl2FN2 — CID 89394942

IUPAC4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(CF)nc1Cl
InChIInChI=1S/C6H5Cl2FN2/c1-3-5(7)10-4(2-9)11-6(3)8/h2H2,1H3
InChIKeySCQRQPGFJRWPDD-UHFFFAOYSA-N
MW195.02 g/mol
LogP2.56
Rot. Bonds1

About 4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine

4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine (PubChem CID 89394942) has the molecular formula C6H5Cl2FN2 and a molecular weight of 195.02 g/mol. Its IUPAC name is 4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine
PubChem CID89394942
Molecular FormulaC6H5Cl2FN2
Molecular Weight195.02 g/mol
Exact Mass193.98
IUPAC Name4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(CF)nc1Cl
InChIInChI=1S/C6H5Cl2FN2/c1-3-5(7)10-4(2-9)11-6(3)8/h2H2,1H3
InChIKeySCQRQPGFJRWPDD-UHFFFAOYSA-N
XLogP2.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.02
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine (CID 89394942) is 4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine is Cc1c(Cl)nc(CF)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine?
The InChIKey is SCQRQPGFJRWPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2FN2/c1-3-5(7)10-4(2-9)11-6(3)8/h2H2,1H3.
What are the key properties of 4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine?
4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine has a molecular weight of 195.02 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(fluoromethyl)-5-methylpyrimidine is sourced from PubChem (CID 89394942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).