4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine

C13H12ClFN2 — CID 80952962

IUPAC4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(-c2cccc(F)c2)n1
InChIInChI=1S/C13H12ClFN2/c1-8(2)13-16-11(7-12(14)17-13)9-4-3-5-10(15)6-9/h3-8H,1-2H3
InChIKeyVRUCLMUSGHRFLG-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.06
Rot. Bonds2

About 4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine

4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine (PubChem CID 80952962) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine
PubChem CID80952962
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(-c2cccc(F)c2)n1
InChIInChI=1S/C13H12ClFN2/c1-8(2)13-16-11(7-12(14)17-13)9-4-3-5-10(15)6-9/h3-8H,1-2H3
InChIKeyVRUCLMUSGHRFLG-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine (CID 80952962) is 4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)cc(-c2cccc(F)c2)n1.
What is the InChIKey of 4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine?
The InChIKey is VRUCLMUSGHRFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-8(2)13-16-11(7-12(14)17-13)9-4-3-5-10(15)6-9/h3-8H,1-2H3.
What are the key properties of 4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine?
4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine has a molecular weight of 250.70 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80952962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).