2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate

C11H16N2O4 — CID 805727

IUPAC2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)OCC(C)C
InChIInChI=1S/C11H16N2O4/c1-6(2)5-17-9(14)4-8-7(3)12-11(16)13-10(8)15/h6H,4-5H2,1-3H3,(H2,12,13,15,16)
InChIKeyACVMKSTXHHXNNO-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.11
Rot. Bonds4

About 2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate

2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate (PubChem CID 805727) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
PubChem CID805727
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)OCC(C)C
InChIInChI=1S/C11H16N2O4/c1-6(2)5-17-9(14)4-8-7(3)12-11(16)13-10(8)15/h6H,4-5H2,1-3H3,(H2,12,13,15,16)
InChIKeyACVMKSTXHHXNNO-UHFFFAOYSA-N
XLogP0.11
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The IUPAC name of 2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate (CID 805727) is 2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for 2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The InChIKey is ACVMKSTXHHXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6(2)5-17-9(14)4-8-7(3)12-11(16)13-10(8)15/h6H,4-5H2,1-3H3,(H2,12,13,15,16).
What are the key properties of 2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate has a molecular weight of 240.26 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate is sourced from PubChem (CID 805727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).