2,4-bis(4-methoxyphenoxy)pyrimidine

C18H16N2O4 — CID 3008438

IUPAC2,4-bis(4-methoxyphenoxy)pyrimidine
SMILESCOc1ccc(Oc2ccnc(Oc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C18H16N2O4/c1-21-13-3-7-15(8-4-13)23-17-11-12-19-18(20-17)24-16-9-5-14(22-2)6-10-16/h3-12H,1-2H3
InChIKeyUZBQLKAVZLPRGJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP4.08
Rot. Bonds6

About 2,4-bis(4-methoxyphenoxy)pyrimidine

2,4-bis(4-methoxyphenoxy)pyrimidine (PubChem CID 3008438) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenoxy)pyrimidine
PubChem CID3008438
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2,4-bis(4-methoxyphenoxy)pyrimidine
SMILESCOc1ccc(Oc2ccnc(Oc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C18H16N2O4/c1-21-13-3-7-15(8-4-13)23-17-11-12-19-18(20-17)24-16-9-5-14(22-2)6-10-16/h3-12H,1-2H3
InChIKeyUZBQLKAVZLPRGJ-UHFFFAOYSA-N
XLogP4.08
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyphenoxy)pyrimidine?
The IUPAC name of 2,4-bis(4-methoxyphenoxy)pyrimidine (CID 3008438) is 2,4-bis(4-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 2,4-bis(4-methoxyphenoxy)pyrimidine?
The canonical SMILES for 2,4-bis(4-methoxyphenoxy)pyrimidine is COc1ccc(Oc2ccnc(Oc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-methoxyphenoxy)pyrimidine?
The InChIKey is UZBQLKAVZLPRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-21-13-3-7-15(8-4-13)23-17-11-12-19-18(20-17)24-16-9-5-14(22-2)6-10-16/h3-12H,1-2H3.
What are the key properties of 2,4-bis(4-methoxyphenoxy)pyrimidine?
2,4-bis(4-methoxyphenoxy)pyrimidine has a molecular weight of 324.34 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 3008438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).