4,6-bis(4-phenylmethoxyphenoxy)pyrimidine

C30H24N2O4 — CID 59155453

IUPAC4,6-bis(4-phenylmethoxyphenoxy)pyrimidine
SMILESc1ccc(COc2ccc(Oc3cc(Oc4ccc(OCc5ccccc5)cc4)ncn3)cc2)cc1
InChIInChI=1S/C30H24N2O4/c1-3-7-23(8-4-1)20-33-25-11-15-27(16-12-25)35-29-19-30(32-22-31-29)36-28-17-13-26(14-18-28)34-21-24-9-5-2-6-10-24/h1-19,22H,20-21H2
InChIKeyANUHDAUEFRLLCL-UHFFFAOYSA-N
MW476.53 g/mol
LogP7.22
Rot. Bonds10

About 4,6-bis(4-phenylmethoxyphenoxy)pyrimidine

4,6-bis(4-phenylmethoxyphenoxy)pyrimidine (PubChem CID 59155453) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 4,6-bis(4-phenylmethoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4,6-bis(4-phenylmethoxyphenoxy)pyrimidine
PubChem CID59155453
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name4,6-bis(4-phenylmethoxyphenoxy)pyrimidine
SMILESc1ccc(COc2ccc(Oc3cc(Oc4ccc(OCc5ccccc5)cc4)ncn3)cc2)cc1
InChIInChI=1S/C30H24N2O4/c1-3-7-23(8-4-1)20-33-25-11-15-27(16-12-25)35-29-19-30(32-22-31-29)36-28-17-13-26(14-18-28)34-21-24-9-5-2-6-10-24/h1-19,22H,20-21H2
InChIKeyANUHDAUEFRLLCL-UHFFFAOYSA-N
XLogP7.22
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-phenylmethoxyphenoxy)pyrimidine?
The IUPAC name of 4,6-bis(4-phenylmethoxyphenoxy)pyrimidine (CID 59155453) is 4,6-bis(4-phenylmethoxyphenoxy)pyrimidine.
What is the SMILES notation for 4,6-bis(4-phenylmethoxyphenoxy)pyrimidine?
The canonical SMILES for 4,6-bis(4-phenylmethoxyphenoxy)pyrimidine is c1ccc(COc2ccc(Oc3cc(Oc4ccc(OCc5ccccc5)cc4)ncn3)cc2)cc1.
What is the InChIKey of 4,6-bis(4-phenylmethoxyphenoxy)pyrimidine?
The InChIKey is ANUHDAUEFRLLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c1-3-7-23(8-4-1)20-33-25-11-15-27(16-12-25)35-29-19-30(32-22-31-29)36-28-17-13-26(14-18-28)34-21-24-9-5-2-6-10-24/h1-19,22H,20-21H2.
What are the key properties of 4,6-bis(4-phenylmethoxyphenoxy)pyrimidine?
4,6-bis(4-phenylmethoxyphenoxy)pyrimidine has a molecular weight of 476.53 g/mol, XLogP of 7.22, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-phenylmethoxyphenoxy)pyrimidine is sourced from PubChem (CID 59155453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).