2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol

C20H21N3O4 — CID 2002675

IUPAC2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2nc(N)ncc2Oc2ccccc2OCC)c(O)c1
InChIInChI=1S/C20H21N3O4/c1-3-25-13-9-10-14(15(24)11-13)19-18(12-22-20(21)23-19)27-17-8-6-5-7-16(17)26-4-2/h5-12,24H,3-4H2,1-2H3,(H2,21,22,23)
InChIKeyHWSBYCOGTMKICM-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.02
Rot. Bonds7

About 2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol

2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol (PubChem CID 2002675) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
PubChem CID2002675
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2nc(N)ncc2Oc2ccccc2OCC)c(O)c1
InChIInChI=1S/C20H21N3O4/c1-3-25-13-9-10-14(15(24)11-13)19-18(12-22-20(21)23-19)27-17-8-6-5-7-16(17)26-4-2/h5-12,24H,3-4H2,1-2H3,(H2,21,22,23)
InChIKeyHWSBYCOGTMKICM-UHFFFAOYSA-N
XLogP4.02
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol?
The IUPAC name of 2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol (CID 2002675) is 2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol?
The canonical SMILES for 2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol is CCOc1ccc(-c2nc(N)ncc2Oc2ccccc2OCC)c(O)c1.
What is the InChIKey of 2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol?
The InChIKey is HWSBYCOGTMKICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-25-13-9-10-14(15(24)11-13)19-18(12-22-20(21)23-19)27-17-8-6-5-7-16(17)26-4-2/h5-12,24H,3-4H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol?
2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol has a molecular weight of 367.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol is sourced from PubChem (CID 2002675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).