2,4,6-tris(phenylmethoxy)pyrimidine

C25H22N2O3 — CID 25130893

IUPAC2,4,6-tris(phenylmethoxy)pyrimidine
SMILESc1ccc(COc2cc(OCc3ccccc3)nc(OCc3ccccc3)n2)cc1
InChIInChI=1S/C25H22N2O3/c1-4-10-20(11-5-1)17-28-23-16-24(29-18-21-12-6-2-7-13-21)27-25(26-23)30-19-22-14-8-3-9-15-22/h1-16H,17-19H2
InChIKeyGILIQKNFUGHXPP-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.21
Rot. Bonds9

About 2,4,6-tris(phenylmethoxy)pyrimidine

2,4,6-tris(phenylmethoxy)pyrimidine (PubChem CID 25130893) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2,4,6-tris(phenylmethoxy)pyrimidine.

Molecular Properties

Compound Name2,4,6-tris(phenylmethoxy)pyrimidine
PubChem CID25130893
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name2,4,6-tris(phenylmethoxy)pyrimidine
SMILESc1ccc(COc2cc(OCc3ccccc3)nc(OCc3ccccc3)n2)cc1
InChIInChI=1S/C25H22N2O3/c1-4-10-20(11-5-1)17-28-23-16-24(29-18-21-12-6-2-7-13-21)27-25(26-23)30-19-22-14-8-3-9-15-22/h1-16H,17-19H2
InChIKeyGILIQKNFUGHXPP-UHFFFAOYSA-N
XLogP5.21
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(phenylmethoxy)pyrimidine?
The IUPAC name of 2,4,6-tris(phenylmethoxy)pyrimidine (CID 25130893) is 2,4,6-tris(phenylmethoxy)pyrimidine.
What is the SMILES notation for 2,4,6-tris(phenylmethoxy)pyrimidine?
The canonical SMILES for 2,4,6-tris(phenylmethoxy)pyrimidine is c1ccc(COc2cc(OCc3ccccc3)nc(OCc3ccccc3)n2)cc1.
What is the InChIKey of 2,4,6-tris(phenylmethoxy)pyrimidine?
The InChIKey is GILIQKNFUGHXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-4-10-20(11-5-1)17-28-23-16-24(29-18-21-12-6-2-7-13-21)27-25(26-23)30-19-22-14-8-3-9-15-22/h1-16H,17-19H2.
What are the key properties of 2,4,6-tris(phenylmethoxy)pyrimidine?
2,4,6-tris(phenylmethoxy)pyrimidine has a molecular weight of 398.46 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(phenylmethoxy)pyrimidine is sourced from PubChem (CID 25130893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).