methyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate

C10H12N2O3 — CID 116902913

IUPACmethyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate
SMILESCOC(=O)C1(c2nccc(C)n2)COC1
InChIInChI=1S/C10H12N2O3/c1-7-3-4-11-8(12-7)10(5-15-6-10)9(13)14-2/h3-4H,5-6H2,1-2H3
InChIKeyZEMUGKBMGAOXMT-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.23
Rot. Bonds2

About methyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate

methyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate (PubChem CID 116902913) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate
PubChem CID116902913
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate
SMILESCOC(=O)C1(c2nccc(C)n2)COC1
InChIInChI=1S/C10H12N2O3/c1-7-3-4-11-8(12-7)10(5-15-6-10)9(13)14-2/h3-4H,5-6H2,1-2H3
InChIKeyZEMUGKBMGAOXMT-UHFFFAOYSA-N
XLogP0.23
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate?
The IUPAC name of methyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate (CID 116902913) is methyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate?
The canonical SMILES for methyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate is COC(=O)C1(c2nccc(C)n2)COC1.
What is the InChIKey of methyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate?
The InChIKey is ZEMUGKBMGAOXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7-3-4-11-8(12-7)10(5-15-6-10)9(13)14-2/h3-4H,5-6H2,1-2H3.
What are the key properties of methyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate?
methyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylpyrimidin-2-yl)oxetane-3-carboxylate is sourced from PubChem (CID 116902913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).