2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine

C19H18N2O4 — CID 3008444

IUPAC2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine
SMILESCOc1ccc(Oc2ncc(C)c(Oc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C19H18N2O4/c1-13-12-20-19(25-17-10-6-15(23-3)7-11-17)21-18(13)24-16-8-4-14(22-2)5-9-16/h4-12H,1-3H3
InChIKeyABQRDLUJCSAUEC-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.39
Rot. Bonds6

About 2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine

2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine (PubChem CID 3008444) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine
PubChem CID3008444
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine
SMILESCOc1ccc(Oc2ncc(C)c(Oc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C19H18N2O4/c1-13-12-20-19(25-17-10-6-15(23-3)7-11-17)21-18(13)24-16-8-4-14(22-2)5-9-16/h4-12H,1-3H3
InChIKeyABQRDLUJCSAUEC-UHFFFAOYSA-N
XLogP4.39
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.39
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)-5-methylpyrimidine?
The IUPAC name of 2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine (CID 3008444) is 2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine.
What is the SMILES notation for 2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine?
The canonical SMILES for 2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine is COc1ccc(Oc2ncc(C)c(Oc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine?
The InChIKey is ABQRDLUJCSAUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13-12-20-19(25-17-10-6-15(23-3)7-11-17)21-18(13)24-16-8-4-14(22-2)5-9-16/h4-12H,1-3H3.
What are the key properties of 2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine?
2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine has a molecular weight of 338.36 g/mol, XLogP of 4.39, 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)-5-methylpyrimidine is sourced from PubChem (CID 3008444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).