4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine

C13H12ClFN2 — CID 64758151

IUPAC4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine
SMILESCC(C)(c1ccc(F)cc1)c1nccc(Cl)n1
InChIInChI=1S/C13H12ClFN2/c1-13(2,9-3-5-10(15)6-4-9)12-16-8-7-11(14)17-12/h3-8H,1-2H3
InChIKeyPXXHBAMGQCIRKB-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.60
Rot. Bonds2

About 4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine

4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine (PubChem CID 64758151) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine
PubChem CID64758151
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine
SMILESCC(C)(c1ccc(F)cc1)c1nccc(Cl)n1
InChIInChI=1S/C13H12ClFN2/c1-13(2,9-3-5-10(15)6-4-9)12-16-8-7-11(14)17-12/h3-8H,1-2H3
InChIKeyPXXHBAMGQCIRKB-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine?
The IUPAC name of 4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine (CID 64758151) is 4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine is CC(C)(c1ccc(F)cc1)c1nccc(Cl)n1.
What is the InChIKey of 4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine?
The InChIKey is PXXHBAMGQCIRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-13(2,9-3-5-10(15)6-4-9)12-16-8-7-11(14)17-12/h3-8H,1-2H3.
What are the key properties of 4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine?
4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine has a molecular weight of 250.70 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine is sourced from PubChem (CID 64758151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).