4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine

C18H17N3O2 — CID 1474153

IUPAC4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1c(C)cccc1C
InChIInChI=1S/C18H17N3O2/c1-12-7-6-8-13(2)16(12)23-18-15(22-3)11-20-17(21-18)14-9-4-5-10-19-14/h4-11H,1-3H3
InChIKeyLTVKLRHBVSLSPX-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.96
Rot. Bonds4

About 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine

4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 1474153) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID1474153
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1c(C)cccc1C
InChIInChI=1S/C18H17N3O2/c1-12-7-6-8-13(2)16(12)23-18-15(22-3)11-20-17(21-18)14-9-4-5-10-19-14/h4-11H,1-3H3
InChIKeyLTVKLRHBVSLSPX-UHFFFAOYSA-N
XLogP3.96
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2,6-dimethylphenoxy)-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-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine (CID 1474153) is 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1Oc1c(C)cccc1C.
What is the InChIKey of 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is LTVKLRHBVSLSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-7-6-8-13(2)16(12)23-18-15(22-3)11-20-17(21-18)14-9-4-5-10-19-14/h4-11H,1-3H3.
What are the key properties of 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 307.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1474153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).