4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine

C18H17N3O2 — CID 127040434

IUPAC4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCOc1ccccc1OCc1cc(C)nc(-c2ccccn2)n1
InChIInChI=1S/C18H17N3O2/c1-13-11-14(12-23-17-9-4-3-8-16(17)22-2)21-18(20-13)15-7-5-6-10-19-15/h3-11H,12H2,1-2H3
InChIKeyMWCNRUWDMXYOCR-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.43
Rot. Bonds5

About 4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine

4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine (PubChem CID 127040434) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
PubChem CID127040434
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCOc1ccccc1OCc1cc(C)nc(-c2ccccn2)n1
InChIInChI=1S/C18H17N3O2/c1-13-11-14(12-23-17-9-4-3-8-16(17)22-2)21-18(20-13)15-7-5-6-10-19-15/h3-11H,12H2,1-2H3
InChIKeyMWCNRUWDMXYOCR-UHFFFAOYSA-N
XLogP3.43
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine (CID 127040434) is 4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine is COc1ccccc1OCc1cc(C)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
The InChIKey is MWCNRUWDMXYOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-11-14(12-23-17-9-4-3-8-16(17)22-2)21-18(20-13)15-7-5-6-10-19-15/h3-11H,12H2,1-2H3.
What are the key properties of 4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine has a molecular weight of 307.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 127040434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).