4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine

C14H15FN2OS — CID 130395937

IUPAC4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine
SMILESCSc1cc(Oc2cccc(F)c2)nc(C(C)C)n1
InChIInChI=1S/C14H15FN2OS/c1-9(2)14-16-12(8-13(17-14)19-3)18-11-6-4-5-10(15)7-11/h4-9H,1-3H3
InChIKeyDQTMJVHFVLCJQF-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.25
Rot. Bonds4

About 4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine

4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine (PubChem CID 130395937) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine
PubChem CID130395937
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine
SMILESCSc1cc(Oc2cccc(F)c2)nc(C(C)C)n1
InChIInChI=1S/C14H15FN2OS/c1-9(2)14-16-12(8-13(17-14)19-3)18-11-6-4-5-10(15)7-11/h4-9H,1-3H3
InChIKeyDQTMJVHFVLCJQF-UHFFFAOYSA-N
XLogP4.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine (CID 130395937) is 4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine is CSc1cc(Oc2cccc(F)c2)nc(C(C)C)n1.
What is the InChIKey of 4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine?
The InChIKey is DQTMJVHFVLCJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-9(2)14-16-12(8-13(17-14)19-3)18-11-6-4-5-10(15)7-11/h4-9H,1-3H3.
What are the key properties of 4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine?
4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine has a molecular weight of 278.35 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 130395937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).