4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine

C14H14ClFN2O — CID 64856364

IUPAC4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine
SMILESCc1ccc(F)c(Oc2ncnc(Cl)c2C(C)C)c1
InChIInChI=1S/C14H14ClFN2O/c1-8(2)12-13(15)17-7-18-14(12)19-11-6-9(3)4-5-10(11)16/h4-8H,1-3H3
InChIKeyHWRAFLUJHZDWRQ-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.49
Rot. Bonds3

About 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine

4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine (PubChem CID 64856364) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine
PubChem CID64856364
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine
SMILESCc1ccc(F)c(Oc2ncnc(Cl)c2C(C)C)c1
InChIInChI=1S/C14H14ClFN2O/c1-8(2)12-13(15)17-7-18-14(12)19-11-6-9(3)4-5-10(11)16/h4-8H,1-3H3
InChIKeyHWRAFLUJHZDWRQ-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 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine (CID 64856364) is 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine is Cc1ccc(F)c(Oc2ncnc(Cl)c2C(C)C)c1.
What is the InChIKey of 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine?
The InChIKey is HWRAFLUJHZDWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-8(2)12-13(15)17-7-18-14(12)19-11-6-9(3)4-5-10(11)16/h4-8H,1-3H3.
What are the key properties of 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine?
4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine 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 4-chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 64856364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).