4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine

C18H17N3O4 — CID 67801933

IUPAC4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine
SMILESCOc1cccc(-c2cccc(Oc3nc(OC)cc(OC)n3)c2)n1
InChIInChI=1S/C18H17N3O4/c1-22-15-9-5-8-14(19-15)12-6-4-7-13(10-12)25-18-20-16(23-2)11-17(21-18)24-3/h4-11H,1-3H3
InChIKeyHRFDGOAGPYGIDB-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.36
Rot. Bonds6

About 4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine

4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine (PubChem CID 67801933) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine
PubChem CID67801933
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine
SMILESCOc1cccc(-c2cccc(Oc3nc(OC)cc(OC)n3)c2)n1
InChIInChI=1S/C18H17N3O4/c1-22-15-9-5-8-14(19-15)12-6-4-7-13(10-12)25-18-20-16(23-2)11-17(21-18)24-3/h4-11H,1-3H3
InChIKeyHRFDGOAGPYGIDB-UHFFFAOYSA-N
XLogP3.36
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine (CID 67801933) is 4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine is COc1cccc(-c2cccc(Oc3nc(OC)cc(OC)n3)c2)n1.
What is the InChIKey of 4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine?
The InChIKey is HRFDGOAGPYGIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-22-15-9-5-8-14(19-15)12-6-4-7-13(10-12)25-18-20-16(23-2)11-17(21-18)24-3/h4-11H,1-3H3.
What are the key properties of 4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine?
4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine has a molecular weight of 339.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine is sourced from PubChem (CID 67801933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).