methyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate

C12H16N2O3 — CID 116896282

IUPACmethyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate
SMILESCCc1cc(C)nc(C2(C(=O)OC)COC2)n1
InChIInChI=1S/C12H16N2O3/c1-4-9-5-8(2)13-10(14-9)12(6-17-7-12)11(15)16-3/h5H,4,6-7H2,1-3H3
InChIKeyAICHNKUWDOIONK-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.79
Rot. Bonds3

About methyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate

methyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate (PubChem CID 116896282) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate
PubChem CID116896282
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate
SMILESCCc1cc(C)nc(C2(C(=O)OC)COC2)n1
InChIInChI=1S/C12H16N2O3/c1-4-9-5-8(2)13-10(14-9)12(6-17-7-12)11(15)16-3/h5H,4,6-7H2,1-3H3
InChIKeyAICHNKUWDOIONK-UHFFFAOYSA-N
XLogP0.79
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate?
The IUPAC name of methyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate (CID 116896282) is methyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate?
The canonical SMILES for methyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate is CCc1cc(C)nc(C2(C(=O)OC)COC2)n1.
What is the InChIKey of methyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate?
The InChIKey is AICHNKUWDOIONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-9-5-8(2)13-10(14-9)12(6-17-7-12)11(15)16-3/h5H,4,6-7H2,1-3H3.
What are the key properties of methyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate?
methyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethyl-6-methylpyrimidin-2-yl)oxetane-3-carboxylate is sourced from PubChem (CID 116896282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).