methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate

C9H11ClN2O4 — CID 911298

IUPACmethyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate
SMILESCOC(=O)COc1nc(C)c(Cl)c(OC)n1
InChIInChI=1S/C9H11ClN2O4/c1-5-7(10)8(15-3)12-9(11-5)16-4-6(13)14-2/h4H2,1-3H3
InChIKeyHSVFRMPEPGJBJR-UHFFFAOYSA-N
MW246.65 g/mol
LogP1.00
Rot. Bonds4

About methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate

methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate (PubChem CID 911298) has the molecular formula C9H11ClN2O4 and a molecular weight of 246.65 g/mol. Its IUPAC name is methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate
PubChem CID911298
Molecular FormulaC9H11ClN2O4
Molecular Weight246.65 g/mol
Exact Mass246.04
IUPAC Namemethyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate
SMILESCOC(=O)COc1nc(C)c(Cl)c(OC)n1
InChIInChI=1S/C9H11ClN2O4/c1-5-7(10)8(15-3)12-9(11-5)16-4-6(13)14-2/h4H2,1-3H3
InChIKeyHSVFRMPEPGJBJR-UHFFFAOYSA-N
XLogP1.00
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-Bromo-4-methoxy-6-methyl-pyrimidin-2-yloxy)-acetic acid ethyl ester
CID 645131
Methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate
CID 664203
N-(5-chloro-4-methoxy-6-methyl-2-pyrimidinyl)acetamide
CID 777156
2-[(5-Chloro-4-methoxy-6-methylpyrimidin-2-yl)oxy]propanenitrile
CID 3750442
Methyl 2-(5-bromo-6-methoxy-4-methylpyrimidin-2-yloxy)propanoate
CID 3143103
2-(5-Chloro-2-methyl-6-trifluoromethylpyrimidin-4-yloxy)propionic acid
CID 18700273
Ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate
CID 18700281
5-Chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine
CID 13086913
5-Chloro-2-fluoro-4-methoxy-6-methylpyrimidine
CID 13630768
Methyl 2-[(5-chloro-4-methoxy-6-methyl-2-pyrimidinyl)oxy]propanoate
CID 12006821
5-Chloro-4-Ethoxycarbonyloxy-6-Methyl-2-Trichloromethylpyrimidine
CID 13080165
5-Chloro-4-methoxy-6-methylpyrimidin-2-amine
CID 13097302

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate?
The IUPAC name of methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate (CID 911298) is methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate.
What is the SMILES notation for methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate?
The canonical SMILES for methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate is COC(=O)COc1nc(C)c(Cl)c(OC)n1.
What is the InChIKey of methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate?
The InChIKey is HSVFRMPEPGJBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4/c1-5-7(10)8(15-3)12-9(11-5)16-4-6(13)14-2/h4H2,1-3H3.
What are the key properties of methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate?
methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate has a molecular weight of 246.65 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate is sourced from PubChem (CID 911298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).