4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine

C14H14ClFN2 — CID 43557554

IUPAC4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H14ClFN2/c1-14(2,3)11-8-12(15)18-13(17-11)9-4-6-10(16)7-5-9/h4-8H,1-3H3
InChIKeyVZUIFAWWQVXTSB-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.23
Rot. Bonds1

About 4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine

4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine (PubChem CID 43557554) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine
PubChem CID43557554
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H14ClFN2/c1-14(2,3)11-8-12(15)18-13(17-11)9-4-6-10(16)7-5-9/h4-8H,1-3H3
InChIKeyVZUIFAWWQVXTSB-UHFFFAOYSA-N
XLogP4.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine (CID 43557554) is 4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine is CC(C)(C)c1cc(Cl)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine?
The InChIKey is VZUIFAWWQVXTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-14(2,3)11-8-12(15)18-13(17-11)9-4-6-10(16)7-5-9/h4-8H,1-3H3.
What are the key properties of 4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine?
4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine has a molecular weight of 264.73 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine is sourced from PubChem (CID 43557554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).