4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine

C14H14ClFN2 — CID 80952149

IUPAC4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine
SMILESCc1ccc(F)cc1-c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H14ClFN2/c1-8(2)14-17-12(7-13(15)18-14)11-6-10(16)5-4-9(11)3/h4-8H,1-3H3
InChIKeyUYAUAKNNZRSRBQ-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.37
Rot. Bonds2

About 4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine

4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine (PubChem CID 80952149) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine
PubChem CID80952149
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine
SMILESCc1ccc(F)cc1-c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H14ClFN2/c1-8(2)14-17-12(7-13(15)18-14)11-6-10(16)5-4-9(11)3/h4-8H,1-3H3
InChIKeyUYAUAKNNZRSRBQ-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine (CID 80952149) is 4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine is Cc1ccc(F)cc1-c1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine?
The InChIKey is UYAUAKNNZRSRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-8(2)14-17-12(7-13(15)18-14)11-6-10(16)5-4-9(11)3/h4-8H,1-3H3.
What are the key properties of 4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine?
4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine has a molecular weight of 264.73 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80952149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).