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

C14H14N2O3 — CID 91179708

IUPACmethyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(Oc2cc(C)ncn2)cc1
InChIInChI=1S/C14H14N2O3/c1-10-7-13(16-9-15-10)19-12-5-3-11(4-6-12)8-14(17)18-2/h3-7,9H,8H2,1-2H3
InChIKeyXSXVCBPABHJRDQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.29
Rot. Bonds4

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

methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate (PubChem CID 91179708) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate
PubChem CID91179708
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(Oc2cc(C)ncn2)cc1
InChIInChI=1S/C14H14N2O3/c1-10-7-13(16-9-15-10)19-12-5-3-11(4-6-12)8-14(17)18-2/h3-7,9H,8H2,1-2H3
InChIKeyXSXVCBPABHJRDQ-UHFFFAOYSA-N
XLogP2.29
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-methylpyrimidin-4-yl)oxyphenol
CID 61224161
1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine
CID 16643303
methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate
CID 24561411
1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine
CID 16643300
methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate
CID 22867083
(6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate
CID 83820797
2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311512
methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
CID 143366295
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
CID 81334328
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline
CID 69194647
[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80871140

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate?
The IUPAC name of methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate (CID 91179708) is methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate.
What is the SMILES notation for methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate?
The canonical SMILES for methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate is COC(=O)Cc1ccc(Oc2cc(C)ncn2)cc1.
What is the InChIKey of methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate?
The InChIKey is XSXVCBPABHJRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10-7-13(16-9-15-10)19-12-5-3-11(4-6-12)8-14(17)18-2/h3-7,9H,8H2,1-2H3.
What are the key properties of methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate?
methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate has a molecular weight of 258.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate is sourced from PubChem (CID 91179708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).