methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate

C10H13BrN2O4 — CID 3143103

IUPACmethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1nc(C)c(Br)c(OC)n1
InChIInChI=1S/C10H13BrN2O4/c1-5-7(11)8(15-3)13-10(12-5)17-6(2)9(14)16-4/h6H,1-4H3
InChIKeyJCQAPVJVZRYLDN-UHFFFAOYSA-N
MW305.13 g/mol
LogP1.50
Rot. Bonds4

About methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate

methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate (PubChem CID 3143103) has the molecular formula C10H13BrN2O4 and a molecular weight of 305.13 g/mol. Its IUPAC name is methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate
PubChem CID3143103
Molecular FormulaC10H13BrN2O4
Molecular Weight305.13 g/mol
Exact Mass304.01
IUPAC Namemethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1nc(C)c(Br)c(OC)n1
InChIInChI=1S/C10H13BrN2O4/c1-5-7(11)8(15-3)13-10(12-5)17-6(2)9(14)16-4/h6H,1-4H3
InChIKeyJCQAPVJVZRYLDN-UHFFFAOYSA-N
XLogP1.50
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate?
The IUPAC name of methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate (CID 3143103) is methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate.
What is the SMILES notation for methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate?
The canonical SMILES for methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate is COC(=O)C(C)Oc1nc(C)c(Br)c(OC)n1.
What is the InChIKey of methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate?
The InChIKey is JCQAPVJVZRYLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4/c1-5-7(11)8(15-3)13-10(12-5)17-6(2)9(14)16-4/h6H,1-4H3.
What are the key properties of methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate?
methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate has a molecular weight of 305.13 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate is sourced from PubChem (CID 3143103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).