2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine

C16H12Cl3FN4O — CID 160610783

IUPAC2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine
SMILESCc1cc(Cl)nc(Cl)n1.Cc1cc(Oc2ccc(F)cc2)nc(Cl)n1
InChIInChI=1S/C11H8ClFN2O.C5H4Cl2N2/c1-7-6-10(15-11(12)14-7)16-9-4-2-8(13)3-5-9;1-3-2-4(6)9-5(7)8-3/h2-6H,1H3;2H,1H3
InChIKeyRFMHAVFKTGNZES-UHFFFAOYSA-N
MW401.66 g/mol
LogP5.46
Rot. Bonds2

About 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine

2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine (PubChem CID 160610783) has the molecular formula C16H12Cl3FN4O and a molecular weight of 401.66 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine
PubChem CID160610783
Molecular FormulaC16H12Cl3FN4O
Molecular Weight401.66 g/mol
Exact Mass400.01
IUPAC Name2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine
SMILESCc1cc(Cl)nc(Cl)n1.Cc1cc(Oc2ccc(F)cc2)nc(Cl)n1
InChIInChI=1S/C11H8ClFN2O.C5H4Cl2N2/c1-7-6-10(15-11(12)14-7)16-9-4-2-8(13)3-5-9;1-3-2-4(6)9-5(7)8-3/h2-6H,1H3;2H,1H3
InChIKeyRFMHAVFKTGNZES-UHFFFAOYSA-N
XLogP5.46
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.66
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine (CID 160610783) is 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine is Cc1cc(Cl)nc(Cl)n1.Cc1cc(Oc2ccc(F)cc2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine?
The InChIKey is RFMHAVFKTGNZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O.C5H4Cl2N2/c1-7-6-10(15-11(12)14-7)16-9-4-2-8(13)3-5-9;1-3-2-4(6)9-5(7)8-3/h2-6H,1H3;2H,1H3.
What are the key properties of 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine?
2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine has a molecular weight of 401.66 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine is sourced from PubChem (CID 160610783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).