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

C10H13ClN2O4 — CID 12006821

IUPACmethyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1nc(C)c(Cl)c(OC)n1
InChIInChI=1S/C10H13ClN2O4/c1-5-7(11)8(15-3)13-10(12-5)17-6(2)9(14)16-4/h6H,1-4H3
InChIKeyIGAKMMCYNNUWOX-UHFFFAOYSA-N
MW260.68 g/mol
LogP1.39
Rot. Bonds4

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

methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate (PubChem CID 12006821) has the molecular formula C10H13ClN2O4 and a molecular weight of 260.68 g/mol. Its IUPAC name is methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate
PubChem CID12006821
Molecular FormulaC10H13ClN2O4
Molecular Weight260.68 g/mol
Exact Mass260.06
IUPAC Namemethyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1nc(C)c(Cl)c(OC)n1
InChIInChI=1S/C10H13ClN2O4/c1-5-7(11)8(15-3)13-10(12-5)17-6(2)9(14)16-4/h6H,1-4H3
InChIKeyIGAKMMCYNNUWOX-UHFFFAOYSA-N
XLogP1.39
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate?
The IUPAC name of methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate (CID 12006821) is methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate.
What is the SMILES notation for methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate?
The canonical SMILES for methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate is COC(=O)C(C)Oc1nc(C)c(Cl)c(OC)n1.
What is the InChIKey of methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate?
The InChIKey is IGAKMMCYNNUWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4/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-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate?
methyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanoate has a molecular weight of 260.68 g/mol, XLogP of 1.39, 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)oxypropanoate is sourced from PubChem (CID 12006821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).