4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine

C18H16FN3O — CID 133376791

IUPAC4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
SMILESCc1cc(Oc2nc(-c3cccnc3)nc(C)c2C)ccc1F
InChIInChI=1S/C18H16FN3O/c1-11-9-15(6-7-16(11)19)23-18-12(2)13(3)21-17(22-18)14-5-4-8-20-10-14/h4-10H,1-3H3
InChIKeyIJYKJRJQEJUTEW-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.40
Rot. Bonds3

About 4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine

4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine (PubChem CID 133376791) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
PubChem CID133376791
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
SMILESCc1cc(Oc2nc(-c3cccnc3)nc(C)c2C)ccc1F
InChIInChI=1S/C18H16FN3O/c1-11-9-15(6-7-16(11)19)23-18-12(2)13(3)21-17(22-18)14-5-4-8-20-10-14/h4-10H,1-3H3
InChIKeyIJYKJRJQEJUTEW-UHFFFAOYSA-N
XLogP4.40
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine (CID 133376791) is 4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine is Cc1cc(Oc2nc(-c3cccnc3)nc(C)c2C)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine?
The InChIKey is IJYKJRJQEJUTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-11-9-15(6-7-16(11)19)23-18-12(2)13(3)21-17(22-18)14-5-4-8-20-10-14/h4-10H,1-3H3.
What are the key properties of 4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine?
4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine has a molecular weight of 309.34 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 133376791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).