4-chloro-5-fluoro-2-propan-2-ylpyrimidine

C7H8ClFN2 — CID 75132213

IUPAC4-chloro-5-fluoro-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(F)c(Cl)n1
InChIInChI=1S/C7H8ClFN2/c1-4(2)7-10-3-5(9)6(8)11-7/h3-4H,1-2H3
InChIKeyJRICIVRPJODIFV-UHFFFAOYSA-N
MW174.61 g/mol
LogP2.39
Rot. Bonds1

About 4-chloro-5-fluoro-2-propan-2-ylpyrimidine

4-chloro-5-fluoro-2-propan-2-ylpyrimidine (PubChem CID 75132213) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-propan-2-ylpyrimidine
PubChem CID75132213
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name4-chloro-5-fluoro-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(F)c(Cl)n1
InChIInChI=1S/C7H8ClFN2/c1-4(2)7-10-3-5(9)6(8)11-7/h3-4H,1-2H3
InChIKeyJRICIVRPJODIFV-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-fluoro-2-propan-2-ylpyrimidine (CID 75132213) is 4-chloro-5-fluoro-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-2-propan-2-ylpyrimidine is CC(C)c1ncc(F)c(Cl)n1.
What is the InChIKey of 4-chloro-5-fluoro-2-propan-2-ylpyrimidine?
The InChIKey is JRICIVRPJODIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2/c1-4(2)7-10-3-5(9)6(8)11-7/h3-4H,1-2H3.
What are the key properties of 4-chloro-5-fluoro-2-propan-2-ylpyrimidine?
4-chloro-5-fluoro-2-propan-2-ylpyrimidine has a molecular weight of 174.61 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-propan-2-ylpyrimidine is sourced from PubChem (CID 75132213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).