methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate

C9H12N2O3 — CID 20602961

IUPACmethyl 2-(6-methylpyrimidin-4-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1cc(C)ncn1
InChIInChI=1S/C9H12N2O3/c1-6-4-8(11-5-10-6)14-7(2)9(12)13-3/h4-5,7H,1-3H3
InChIKeyDFMGSBIMCINRCD-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.73
Rot. Bonds3

About methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate

methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate (PubChem CID 20602961) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(6-methylpyrimidin-4-yl)oxypropanoate
PubChem CID20602961
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 2-(6-methylpyrimidin-4-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1cc(C)ncn1
InChIInChI=1S/C9H12N2O3/c1-6-4-8(11-5-10-6)14-7(2)9(12)13-3/h4-5,7H,1-3H3
InChIKeyDFMGSBIMCINRCD-UHFFFAOYSA-N
XLogP0.73
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate?
The IUPAC name of methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate (CID 20602961) is methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate.
What is the SMILES notation for methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate?
The canonical SMILES for methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate is COC(=O)C(C)Oc1cc(C)ncn1.
What is the InChIKey of methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate?
The InChIKey is DFMGSBIMCINRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6-4-8(11-5-10-6)14-7(2)9(12)13-3/h4-5,7H,1-3H3.
What are the key properties of methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate?
methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate has a molecular weight of 196.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate is sourced from PubChem (CID 20602961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).