4-chloro-6-(fluoromethyl)-5-methylpyrimidine

C6H6ClFN2 — CID 86673378

IUPAC4-chloro-6-(fluoromethyl)-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1CF
InChIInChI=1S/C6H6ClFN2/c1-4-5(2-8)9-3-10-6(4)7/h3H,2H2,1H3
InChIKeyAEPWVBYPKUCBSG-UHFFFAOYSA-N
MW160.58 g/mol
LogP1.91
Rot. Bonds1

About 4-chloro-6-(fluoromethyl)-5-methylpyrimidine

4-chloro-6-(fluoromethyl)-5-methylpyrimidine (PubChem CID 86673378) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is 4-chloro-6-(fluoromethyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(fluoromethyl)-5-methylpyrimidine
PubChem CID86673378
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name4-chloro-6-(fluoromethyl)-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1CF
InChIInChI=1S/C6H6ClFN2/c1-4-5(2-8)9-3-10-6(4)7/h3H,2H2,1H3
InChIKeyAEPWVBYPKUCBSG-UHFFFAOYSA-N
XLogP1.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(fluoromethyl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(fluoromethyl)-5-methylpyrimidine (CID 86673378) is 4-chloro-6-(fluoromethyl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(fluoromethyl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(fluoromethyl)-5-methylpyrimidine is Cc1c(Cl)ncnc1CF.
What is the InChIKey of 4-chloro-6-(fluoromethyl)-5-methylpyrimidine?
The InChIKey is AEPWVBYPKUCBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c1-4-5(2-8)9-3-10-6(4)7/h3H,2H2,1H3.
What are the key properties of 4-chloro-6-(fluoromethyl)-5-methylpyrimidine?
4-chloro-6-(fluoromethyl)-5-methylpyrimidine has a molecular weight of 160.58 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(fluoromethyl)-5-methylpyrimidine is sourced from PubChem (CID 86673378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).