5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine

C7H8ClFN2 — CID 118072320

IUPAC5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine
SMILESCc1ncnc(C(C)F)c1Cl
InChIInChI=1S/C7H8ClFN2/c1-4(9)7-6(8)5(2)10-3-11-7/h3-4H,1-2H3
InChIKeyZTVDPBXMDLZUDM-UHFFFAOYSA-N
MW174.61 g/mol
LogP2.47
Rot. Bonds1

About 5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine

5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine (PubChem CID 118072320) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is 5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine
PubChem CID118072320
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine
SMILESCc1ncnc(C(C)F)c1Cl
InChIInChI=1S/C7H8ClFN2/c1-4(9)7-6(8)5(2)10-3-11-7/h3-4H,1-2H3
InChIKeyZTVDPBXMDLZUDM-UHFFFAOYSA-N
XLogP2.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine?
The IUPAC name of 5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine (CID 118072320) is 5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine.
What is the SMILES notation for 5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine?
The canonical SMILES for 5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine is Cc1ncnc(C(C)F)c1Cl.
What is the InChIKey of 5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine?
The InChIKey is ZTVDPBXMDLZUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2/c1-4(9)7-6(8)5(2)10-3-11-7/h3-4H,1-2H3.
What are the key properties of 5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine?
5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine has a molecular weight of 174.61 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-fluoroethyl)-6-methylpyrimidine is sourced from PubChem (CID 118072320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).