[4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate

C21H20N2O4 — CID 69385130

IUPAC[4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate
SMILESCCOC(=O)Oc1cnc(-c2ccccc2)nc1Oc1cc(C)ccc1C
InChIInChI=1S/C21H20N2O4/c1-4-25-21(24)27-18-13-22-19(16-8-6-5-7-9-16)23-20(18)26-17-12-14(2)10-11-15(17)3/h5-13H,4H2,1-3H3
InChIKeyOJOXGBVKALUREJ-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.09
Rot. Bonds5

About [4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate

[4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate (PubChem CID 69385130) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is [4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate.

Molecular Properties

Compound Name[4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate
PubChem CID69385130
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name[4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate
SMILESCCOC(=O)Oc1cnc(-c2ccccc2)nc1Oc1cc(C)ccc1C
InChIInChI=1S/C21H20N2O4/c1-4-25-21(24)27-18-13-22-19(16-8-6-5-7-9-16)23-20(18)26-17-12-14(2)10-11-15(17)3/h5-13H,4H2,1-3H3
InChIKeyOJOXGBVKALUREJ-UHFFFAOYSA-N
XLogP5.09
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate?
The IUPAC name of [4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate (CID 69385130) is [4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate.
What is the SMILES notation for [4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate?
The canonical SMILES for [4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate is CCOC(=O)Oc1cnc(-c2ccccc2)nc1Oc1cc(C)ccc1C.
What is the InChIKey of [4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate?
The InChIKey is OJOXGBVKALUREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-4-25-21(24)27-18-13-22-19(16-8-6-5-7-9-16)23-20(18)26-17-12-14(2)10-11-15(17)3/h5-13H,4H2,1-3H3.
What are the key properties of [4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate?
[4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate has a molecular weight of 364.40 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate is sourced from PubChem (CID 69385130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).