4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine

C16H11F2N3O2 — CID 1470718

IUPAC4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1ccc(F)cc1F
InChIInChI=1S/C16H11F2N3O2/c1-22-14-9-20-15(12-4-2-3-7-19-12)21-16(14)23-13-6-5-10(17)8-11(13)18/h2-9H,1H3
InChIKeySZFQNMKRXGGHRJ-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.62
Rot. Bonds4

About 4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine

4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 1470718) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID1470718
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC Name4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1ccc(F)cc1F
InChIInChI=1S/C16H11F2N3O2/c1-22-14-9-20-15(12-4-2-3-7-19-12)21-16(14)23-13-6-5-10(17)8-11(13)18/h2-9H,1H3
InChIKeySZFQNMKRXGGHRJ-UHFFFAOYSA-N
XLogP3.62
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine (CID 1470718) is 4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1Oc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is SZFQNMKRXGGHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c1-22-14-9-20-15(12-4-2-3-7-19-12)21-16(14)23-13-6-5-10(17)8-11(13)18/h2-9H,1H3.
What are the key properties of 4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 315.28 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1470718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).