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

C14H13Cl2FN2 — CID 62946502

IUPAC4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H13Cl2FN2/c1-14(2,3)11-7-12(16)19-13(18-11)9-5-4-8(17)6-10(9)15/h4-7H,1-3H3
InChIKeyYBAIRUSYBMBPTH-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.89
Rot. Bonds1

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

4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine (PubChem CID 62946502) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine
PubChem CID62946502
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H13Cl2FN2/c1-14(2,3)11-7-12(16)19-13(18-11)9-5-4-8(17)6-10(9)15/h4-7H,1-3H3
InChIKeyYBAIRUSYBMBPTH-UHFFFAOYSA-N
XLogP4.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine (CID 62946502) is 4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine is CC(C)(C)c1cc(Cl)nc(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine?
The InChIKey is YBAIRUSYBMBPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c1-14(2,3)11-7-12(16)19-13(18-11)9-5-4-8(17)6-10(9)15/h4-7H,1-3H3.
What are the key properties of 4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine?
4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine has a molecular weight of 299.18 g/mol, XLogP of 4.89, 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-(2-chloro-4-fluorophenyl)pyrimidine is sourced from PubChem (CID 62946502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).