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

C14H14ClFN2O — CID 79080960

IUPAC2-chloro-5-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
SMILESCc1ccc(C(C)C)cc1Oc1nc(Cl)ncc1F
InChIInChI=1S/C14H14ClFN2O/c1-8(2)10-5-4-9(3)12(6-10)19-13-11(16)7-17-14(15)18-13/h4-8H,1-3H3
InChIKeyMSNKJJCGSRKWRH-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.49
Rot. Bonds3

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

2-chloro-5-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine (PubChem CID 79080960) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
PubChem CID79080960
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-chloro-5-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
SMILESCc1ccc(C(C)C)cc1Oc1nc(Cl)ncc1F
InChIInChI=1S/C14H14ClFN2O/c1-8(2)10-5-4-9(3)12(6-10)19-13-11(16)7-17-14(15)18-13/h4-8H,1-3H3
InChIKeyMSNKJJCGSRKWRH-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine (CID 79080960) is 2-chloro-5-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine is Cc1ccc(C(C)C)cc1Oc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine?
The InChIKey is MSNKJJCGSRKWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-8(2)10-5-4-9(3)12(6-10)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-(2-methyl-5-propan-2-ylphenoxy)pyrimidine?
2-chloro-5-fluoro-4-(2-methyl-5-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-(2-methyl-5-propan-2-ylphenoxy)pyrimidine is sourced from PubChem (CID 79080960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).