carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate

C12H16N2O6 — CID 158952423

IUPACcarbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate
SMILESCOC(=O)C(C)c1nc(OC)nc(OC)c1C.O=C=O
InChIInChI=1S/C11H16N2O4.CO2/c1-6-8(7(2)10(14)16-4)12-11(17-5)13-9(6)15-3;2-1-3/h7H,1-5H3;
InChIKeyJLPCNNUZCVBQLJ-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.50
Rot. Bonds4

About carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate

carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate (PubChem CID 158952423) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate.

Molecular Properties

Compound Namecarbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate
PubChem CID158952423
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Namecarbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate
SMILESCOC(=O)C(C)c1nc(OC)nc(OC)c1C.O=C=O
InChIInChI=1S/C11H16N2O4.CO2/c1-6-8(7(2)10(14)16-4)12-11(17-5)13-9(6)15-3;2-1-3/h7H,1-5H3;
InChIKeyJLPCNNUZCVBQLJ-UHFFFAOYSA-N
XLogP0.50
TPSA104.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate?
The IUPAC name of carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate (CID 158952423) is carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate.
What is the SMILES notation for carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate?
The canonical SMILES for carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate is COC(=O)C(C)c1nc(OC)nc(OC)c1C.O=C=O.
What is the InChIKey of carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate?
The InChIKey is JLPCNNUZCVBQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4.CO2/c1-6-8(7(2)10(14)16-4)12-11(17-5)13-9(6)15-3;2-1-3/h7H,1-5H3;.
What are the key properties of carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate?
carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate has a molecular weight of 284.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methyl 2-(2,6-dimethoxy-5-methylpyrimidin-4-yl)propanoate is sourced from PubChem (CID 158952423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).