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

C7H8ClFN2 — CID 58333410

IUPAC2-chloro-5-fluoro-4-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)ncc1F
InChIInChI=1S/C7H8ClFN2/c1-4(2)6-5(9)3-10-7(8)11-6/h3-4H,1-2H3
InChIKeyOERSDRQKVAOYKN-UHFFFAOYSA-N
MW174.61 g/mol
LogP2.39
Rot. Bonds1

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

2-chloro-5-fluoro-4-propan-2-ylpyrimidine (PubChem CID 58333410) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-propan-2-ylpyrimidine
PubChem CID58333410
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name2-chloro-5-fluoro-4-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)ncc1F
InChIInChI=1S/C7H8ClFN2/c1-4(2)6-5(9)3-10-7(8)11-6/h3-4H,1-2H3
InChIKeyOERSDRQKVAOYKN-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 2-chloro-5-fluoro-4-propan-2-ylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-propan-2-ylpyrimidine (CID 58333410) is 2-chloro-5-fluoro-4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-propan-2-ylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-propan-2-ylpyrimidine is CC(C)c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-propan-2-ylpyrimidine?
The InChIKey is OERSDRQKVAOYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2/c1-4(2)6-5(9)3-10-7(8)11-6/h3-4H,1-2H3.
What are the key properties of 2-chloro-5-fluoro-4-propan-2-ylpyrimidine?
2-chloro-5-fluoro-4-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 2-chloro-5-fluoro-4-propan-2-ylpyrimidine is sourced from PubChem (CID 58333410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).