ethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate

C20H19N3O4 — CID 135960784

IUPACethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C20H19N3O4/c1-2-26-18(25)12-27-14-9-7-13(8-10-14)16-11-22-20(21)23-19(16)15-5-3-4-6-17(15)24/h3-11,24H,2,12H2,1H3,(H2,21,22,23)
InChIKeyDQBXAEFTEVTNSJ-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.04
Rot. Bonds6

About ethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate

ethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate (PubChem CID 135960784) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate
PubChem CID135960784
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Nameethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C20H19N3O4/c1-2-26-18(25)12-27-14-9-7-13(8-10-14)16-11-22-20(21)23-19(16)15-5-3-4-6-17(15)24/h3-11,24H,2,12H2,1H3,(H2,21,22,23)
InChIKeyDQBXAEFTEVTNSJ-UHFFFAOYSA-N
XLogP3.04
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate (CID 135960784) is ethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate is CCOC(=O)COc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1.
What is the InChIKey of ethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate?
The InChIKey is DQBXAEFTEVTNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-26-18(25)12-27-14-9-7-13(8-10-14)16-11-22-20(21)23-19(16)15-5-3-4-6-17(15)24/h3-11,24H,2,12H2,1H3,(H2,21,22,23).
What are the key properties of ethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate?
ethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate has a molecular weight of 365.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenoxy]acetate is sourced from PubChem (CID 135960784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).