(2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate

C11H16N2O4 — CID 135043816

IUPAC(2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate
SMILESCOc1ncc(OC(=O)C(C)(C)C)c(OC)n1
InChIInChI=1S/C11H16N2O4/c1-11(2,3)9(14)17-7-6-12-10(16-5)13-8(7)15-4/h6H,1-5H3
InChIKeyBRKCKDKFLTUKLO-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.45
Rot. Bonds3

About (2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate

(2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate (PubChem CID 135043816) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate
PubChem CID135043816
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate
SMILESCOc1ncc(OC(=O)C(C)(C)C)c(OC)n1
InChIInChI=1S/C11H16N2O4/c1-11(2,3)9(14)17-7-6-12-10(16-5)13-8(7)15-4/h6H,1-5H3
InChIKeyBRKCKDKFLTUKLO-UHFFFAOYSA-N
XLogP1.45
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate (CID 135043816) is (2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate is COc1ncc(OC(=O)C(C)(C)C)c(OC)n1.
What is the InChIKey of (2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate?
The InChIKey is BRKCKDKFLTUKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2,3)9(14)17-7-6-12-10(16-5)13-8(7)15-4/h6H,1-5H3.
What are the key properties of (2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate?
(2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate has a molecular weight of 240.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxypyrimidin-5-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 135043816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).