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

C17H15N3O3 — CID 3343835

IUPAC5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine
SMILESCOc1ccc(Oc2nc(-c3ccccn3)ncc2OC)cc1
InChIInChI=1S/C17H15N3O3/c1-21-12-6-8-13(9-7-12)23-17-15(22-2)11-19-16(20-17)14-5-3-4-10-18-14/h3-11H,1-2H3
InChIKeyIBNUINLZXVLPRC-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.35
Rot. Bonds5

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

5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine (PubChem CID 3343835) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine
PubChem CID3343835
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine
SMILESCOc1ccc(Oc2nc(-c3ccccn3)ncc2OC)cc1
InChIInChI=1S/C17H15N3O3/c1-21-12-6-8-13(9-7-12)23-17-15(22-2)11-19-16(20-17)14-5-3-4-10-18-14/h3-11H,1-2H3
InChIKeyIBNUINLZXVLPRC-UHFFFAOYSA-N
XLogP3.35
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Methoxyphenoxy)-2-pyridin-2-ylquinazoline
CID 929911
4-(2,4-Difluorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 1470718
4-(4-Chlorophenoxy)-6-methyl-2-(2-pyridyl)pyrimidine
CID 2725932
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine
CID 6487569
5-Methoxy-4-phenoxy-2-(2-pyridinyl)pyrimidine
CID 3849120
4-(2,5-Dimethoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9969752
4-N-butyl-5-[(3,4-dimethoxy-2-pyridinyl)methoxy]pyrimidine-2,4-diamine
CID 66575872
4-(2,6-Dimethylphenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 1474153
4-(3,5-Dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine
CID 2725931
4-(2-Chlorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 3846667
4-(4-Chlorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 3847340
4-[4-(Tert-butyl)phenoxy]-2-(2-pyridinyl)-5-pyrimidinyl methyl ether
CID 3848313

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine (CID 3343835) is 5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine is COc1ccc(Oc2nc(-c3ccccn3)ncc2OC)cc1.
What is the InChIKey of 5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine?
The InChIKey is IBNUINLZXVLPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-21-12-6-8-13(9-7-12)23-17-15(22-2)11-19-16(20-17)14-5-3-4-10-18-14/h3-11H,1-2H3.
What are the key properties of 5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine?
5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine has a molecular weight of 309.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-methoxyphenoxy)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 3343835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).