methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate

C20H15N3O4 — CID 11187557

IUPACmethyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate
SMILESCOC(=O)Cc1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
InChIInChI=1S/C20H15N3O4/c1-25-20(24)10-14-6-2-4-8-16(14)26-18-11-19(23-13-22-18)27-17-9-5-3-7-15(17)12-21/h2-9,11,13H,10H2,1H3
InChIKeyLGPFHQVEKXEUBO-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.65
Rot. Bonds6

About methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate

methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate (PubChem CID 11187557) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate
PubChem CID11187557
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Namemethyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate
SMILESCOC(=O)Cc1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
InChIInChI=1S/C20H15N3O4/c1-25-20(24)10-14-6-2-4-8-16(14)26-18-11-19(23-13-22-18)27-17-9-5-3-7-15(17)12-21/h2-9,11,13H,10H2,1H3
InChIKeyLGPFHQVEKXEUBO-UHFFFAOYSA-N
XLogP3.65
TPSA94.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 68917139
methyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 6537969
methyl (Z)-3-amino-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]prop-2-enoate
CID 177433977
methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate
CID 167796916
2-[6-[2-(3-methoxy-1-oxobut-1-en-2-yl)phenoxy]pyrimidin-4-yl]oxybenzonitrile
CID 91278250
[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl] 3-methoxyprop-2-enoate
CID 67279116
2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80863385
methyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-(dimethylamino)prop-2-enoate
CID 139512704
methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate
CID 142566690
2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80862938
2-[6-[2-[(E)-1-methoxy-3-methylperoxyprop-1-en-2-yl]phenoxy]pyrimidin-4-yl]oxybenzonitrile
CID 59970168
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 106973530

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate?
The IUPAC name of methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate (CID 11187557) is methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate.
What is the SMILES notation for methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate?
The canonical SMILES for methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate is COC(=O)Cc1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1.
What is the InChIKey of methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate?
The InChIKey is LGPFHQVEKXEUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-25-20(24)10-14-6-2-4-8-16(14)26-18-11-19(23-13-22-18)27-17-9-5-3-7-15(17)12-21/h2-9,11,13H,10H2,1H3.
What are the key properties of methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate?
methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate has a molecular weight of 361.36 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate is sourced from PubChem (CID 11187557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).