methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate

C13H20N2O4 — CID 142395235

IUPACmethyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(COC(C)(C)C)nc1OC
InChIInChI=1S/C13H20N2O4/c1-8-10(12(16)18-6)11(17-5)15-9(14-8)7-19-13(2,3)4/h7H2,1-6H3
InChIKeyLIJMWHJHTVEMRN-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.90
Rot. Bonds4

About methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate

methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate (PubChem CID 142395235) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate
PubChem CID142395235
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(COC(C)(C)C)nc1OC
InChIInChI=1S/C13H20N2O4/c1-8-10(12(16)18-6)11(17-5)15-9(14-8)7-19-13(2,3)4/h7H2,1-6H3
InChIKeyLIJMWHJHTVEMRN-UHFFFAOYSA-N
XLogP1.90
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate (CID 142395235) is methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate is COC(=O)c1c(C)nc(COC(C)(C)C)nc1OC.
What is the InChIKey of methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate?
The InChIKey is LIJMWHJHTVEMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8-10(12(16)18-6)11(17-5)15-9(14-8)7-19-13(2,3)4/h7H2,1-6H3.
What are the key properties of methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate?
methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 142395235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).