4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine

C20H21N3O2 — CID 3848313

IUPAC4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)14-8-10-15(11-9-14)25-19-17(24-4)13-22-18(23-19)16-7-5-6-12-21-16/h5-13H,1-4H3
InChIKeyVNLWZRKMSPUMKX-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.64
Rot. Bonds4

About 4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine

4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 3848313) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID3848313
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)14-8-10-15(11-9-14)25-19-17(24-4)13-22-18(23-19)16-7-5-6-12-21-16/h5-13H,1-4H3
InChIKeyVNLWZRKMSPUMKX-UHFFFAOYSA-N
XLogP4.64
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-tert-butylphenoxy)-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-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine (CID 3848313) is 4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is VNLWZRKMSPUMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2,3)14-8-10-15(11-9-14)25-19-17(24-4)13-22-18(23-19)16-7-5-6-12-21-16/h5-13H,1-4H3.
What are the key properties of 4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 335.41 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 3848313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).