2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine

C14H14ClFN2O — CID 79081223

IUPAC2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
SMILESCc1ccc(C(C)C)c(Oc2nc(Cl)ncc2F)c1
InChIInChI=1S/C14H14ClFN2O/c1-8(2)10-5-4-9(3)6-12(10)19-13-11(16)7-17-14(15)18-13/h4-8H,1-3H3
InChIKeyVIJXCGHPNZFZNI-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.49
Rot. Bonds3

About 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine

2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine (PubChem CID 79081223) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
PubChem CID79081223
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
SMILESCc1ccc(C(C)C)c(Oc2nc(Cl)ncc2F)c1
InChIInChI=1S/C14H14ClFN2O/c1-8(2)10-5-4-9(3)6-12(10)19-13-11(16)7-17-14(15)18-13/h4-8H,1-3H3
InChIKeyVIJXCGHPNZFZNI-UHFFFAOYSA-N
XLogP4.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)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 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine (CID 79081223) is 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine is Cc1ccc(C(C)C)c(Oc2nc(Cl)ncc2F)c1.
What is the InChIKey of 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine?
The InChIKey is VIJXCGHPNZFZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-8(2)10-5-4-9(3)6-12(10)19-13-11(16)7-17-14(15)18-13/h4-8H,1-3H3.
What are the key properties of 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine?
2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine has a molecular weight of 280.73 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)pyrimidine is sourced from PubChem (CID 79081223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).