4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine

C13H14N2O4 — CID 1486798

IUPAC4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine
SMILESCOc1ccc(Oc2nc(OC)cc(OC)n2)cc1
InChIInChI=1S/C13H14N2O4/c1-16-9-4-6-10(7-5-9)19-13-14-11(17-2)8-12(15-13)18-3/h4-8H,1-3H3
InChIKeyWVSODFAQZZBGIB-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.29
Rot. Bonds5

About 4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine

4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine (PubChem CID 1486798) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine
PubChem CID1486798
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine
SMILESCOc1ccc(Oc2nc(OC)cc(OC)n2)cc1
InChIInChI=1S/C13H14N2O4/c1-16-9-4-6-10(7-5-9)19-13-14-11(17-2)8-12(15-13)18-3/h4-8H,1-3H3
InChIKeyWVSODFAQZZBGIB-UHFFFAOYSA-N
XLogP2.29
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine (CID 1486798) is 4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine is COc1ccc(Oc2nc(OC)cc(OC)n2)cc1.
What is the InChIKey of 4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine?
The InChIKey is WVSODFAQZZBGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-16-9-4-6-10(7-5-9)19-13-14-11(17-2)8-12(15-13)18-3/h4-8H,1-3H3.
What are the key properties of 4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine?
4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine has a molecular weight of 262.27 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-(4-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 1486798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).