4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine

C16H12ClN3O2 — CID 3847340

IUPAC4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O2/c1-21-14-10-19-15(13-4-2-3-9-18-13)20-16(14)22-12-7-5-11(17)6-8-12/h2-10H,1H3
InChIKeyZKGVQHCNBPZYLC-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.99
Rot. Bonds4

About 4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine

4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 3847340) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID3847340
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O2/c1-21-14-10-19-15(13-4-2-3-9-18-13)20-16(14)22-12-7-5-11(17)6-8-12/h2-10H,1H3
InChIKeyZKGVQHCNBPZYLC-UHFFFAOYSA-N
XLogP3.99
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenoxy)-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-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine (CID 3847340) is 4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1Oc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is ZKGVQHCNBPZYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-21-14-10-19-15(13-4-2-3-9-18-13)20-16(14)22-12-7-5-11(17)6-8-12/h2-10H,1H3.
What are the key properties of 4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 313.74 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 3847340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).