propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate

C10H14N2O4 — CID 68674508

IUPACpropyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCCOC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-3-4-16-8(13)6-12-5-7(2)9(14)11-10(12)15/h5H,3-4,6H2,1-2H3,(H,11,14,15)
InChIKeyZSAYQQZVCJRTDB-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.20
Rot. Bonds4

About propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate

propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 68674508) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID68674508
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namepropyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCCOC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-3-4-16-8(13)6-12-5-7(2)9(14)11-10(12)15/h5H,3-4,6H2,1-2H3,(H,11,14,15)
InChIKeyZSAYQQZVCJRTDB-UHFFFAOYSA-N
XLogP-0.20
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate (CID 68674508) is propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is CCCOC(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is ZSAYQQZVCJRTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-4-16-8(13)6-12-5-7(2)9(14)11-10(12)15/h5H,3-4,6H2,1-2H3,(H,11,14,15).
What are the key properties of propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 226.23 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 68674508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).