4-chloro-6-fluoro-5-propylpyrimidine

C7H8ClFN2 — CID 155572473

IUPAC4-chloro-6-fluoro-5-propylpyrimidine
SMILESCCCc1c(F)ncnc1Cl
InChIInChI=1S/C7H8ClFN2/c1-2-3-5-6(8)10-4-11-7(5)9/h4H,2-3H2,1H3
InChIKeyOXRPFSRIMPNGKD-UHFFFAOYSA-N
MW174.61 g/mol
LogP2.22
Rot. Bonds2

About 4-chloro-6-fluoro-5-propylpyrimidine

4-chloro-6-fluoro-5-propylpyrimidine (PubChem CID 155572473) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is 4-chloro-6-fluoro-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-fluoro-5-propylpyrimidine
PubChem CID155572473
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name4-chloro-6-fluoro-5-propylpyrimidine
SMILESCCCc1c(F)ncnc1Cl
InChIInChI=1S/C7H8ClFN2/c1-2-3-5-6(8)10-4-11-7(5)9/h4H,2-3H2,1H3
InChIKeyOXRPFSRIMPNGKD-UHFFFAOYSA-N
XLogP2.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-fluoro-5-propylpyrimidine (CID 155572473) is 4-chloro-6-fluoro-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-fluoro-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-fluoro-5-propylpyrimidine is CCCc1c(F)ncnc1Cl.
What is the InChIKey of 4-chloro-6-fluoro-5-propylpyrimidine?
The InChIKey is OXRPFSRIMPNGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2/c1-2-3-5-6(8)10-4-11-7(5)9/h4H,2-3H2,1H3.
What are the key properties of 4-chloro-6-fluoro-5-propylpyrimidine?
4-chloro-6-fluoro-5-propylpyrimidine has a molecular weight of 174.61 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-5-propylpyrimidine is sourced from PubChem (CID 155572473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).