ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate

C16H18N2O4 — CID 166383835

IUPACethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OCc2cnc(OC)nc2)cc1
InChIInChI=1S/C16H18N2O4/c1-3-21-15(19)8-12-4-6-14(7-5-12)22-11-13-9-17-16(20-2)18-10-13/h4-7,9-10H,3,8,11H2,1-2H3
InChIKeySQSWMFGJRWBVQB-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.17
Rot. Bonds7

About ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate

ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate (PubChem CID 166383835) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate
PubChem CID166383835
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OCc2cnc(OC)nc2)cc1
InChIInChI=1S/C16H18N2O4/c1-3-21-15(19)8-12-4-6-14(7-5-12)22-11-13-9-17-16(20-2)18-10-13/h4-7,9-10H,3,8,11H2,1-2H3
InChIKeySQSWMFGJRWBVQB-UHFFFAOYSA-N
XLogP2.17
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 2-[2-[(4-methoxyphenyl)methoxy]phenyl]acetate
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CID 58447889
CID 58447889
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate (CID 166383835) is ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate is CCOC(=O)Cc1ccc(OCc2cnc(OC)nc2)cc1.
What is the InChIKey of ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate?
The InChIKey is SQSWMFGJRWBVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-21-15(19)8-12-4-6-14(7-5-12)22-11-13-9-17-16(20-2)18-10-13/h4-7,9-10H,3,8,11H2,1-2H3.
What are the key properties of ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate?
ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate has a molecular weight of 302.33 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate is sourced from PubChem (CID 166383835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).